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Pyrans

Organic heterocyclic compounds that consist of a six-membered ring with five carbon atoms, one oxygen atom, and two double bonds.

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1

Patulin, 99%

CAS: 149-29-1 Molecular Formula: C7H6O4 Molecular Weight (g/mol): 154.12 MDL Number: MFCD00005858 InChI Key: ZRWPUFFVAOMMNM-UHFFFAOYSA-N Synonym: patulin,clavacin,expansin,clavatin,claviform,expansine,patuline,clairformin,claviformin,gigantin PubChem CID: 4696 ChEBI: CHEBI:74926 IUPAC Name: 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one SMILES: C1C=C2C(=CC(=O)O2)C(O1)O

PubChem CID 4696
CAS 149-29-1
Molecular Weight (g/mol) 154.12
ChEBI CHEBI:74926
MDL Number MFCD00005858
SMILES C1C=C2C(=CC(=O)O2)C(O1)O
Synonym patulin,clavacin,expansin,clavatin,claviform,expansine,patuline,clairformin,claviformin,gigantin
IUPAC Name 4-hydroxy-4,6-dihydrofuro[3,2-c]pyran-2-one
InChI Key ZRWPUFFVAOMMNM-UHFFFAOYSA-N
Molecular Formula C7H6O4
2

4-Methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one, TRC

CAS: 50650-75-4 Molecular Formula: C14 H22 O2 Molecular Weight (g/mol): 222.32 Synonym: USP Piroctone Related Compound B,Piroctone USP Related Compound B IUPAC Name: 4-methyl-6-(2,4,4-trimethylpentyl)pyran-2-one SMILES: CC(CC1=CC(=CC(=O)O1)C)CC(C)(C)C

CAS 50650-75-4
Molecular Weight (g/mol) 222.32
SMILES CC(CC1=CC(=CC(=O)O1)C)CC(C)(C)C
Synonym USP Piroctone Related Compound B,Piroctone USP Related Compound B
IUPAC Name 4-methyl-6-(2,4,4-trimethylpentyl)pyran-2-one
Molecular Formula C14 H22 O2
3

4-Hydroxy-6-(2-oxoheptyl)-2H-pyran-2-one, TRC

CAS: 327175-05-3 Molecular Formula: C12H16O4 Molecular Weight (g/mol): 224.25 Synonym: 2H-Pyran-2-one, 4-hydroxy-6-(2-oxoheptyl)-,4-Hydroxy-6-(2-oxoheptyl)-2H-pyran-2-one IUPAC Name: 4-hydroxy-6-(2-oxoheptyl)pyran-2-one SMILES: CCCCCC(=O)CC1=CC(=CC(=O)O1)O

CAS 327175-05-3
Molecular Weight (g/mol) 224.25
SMILES CCCCCC(=O)CC1=CC(=CC(=O)O1)O
Synonym 2H-Pyran-2-one, 4-hydroxy-6-(2-oxoheptyl)-,4-Hydroxy-6-(2-oxoheptyl)-2H-pyran-2-one
IUPAC Name 4-hydroxy-6-(2-oxoheptyl)pyran-2-one
Molecular Formula C12H16O4
4

4-Hydroxymethyl Pendimethalin, TRC

CAS: 56750-76-6 Molecular Formula: C13 H19 N3 O5 Molecular Weight (g/mol): 297.31 Synonym: 4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzenemethanol,4-(Hydroxymethyl)pendimethalin,4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzyl alcohol,α4-Hydroxypendimethalin IUPAC Name: [2-methyl-3,5-dinitro-4-(pentan-3-ylamino)phenyl]methanol SMILES: CCC(CC)Nc1c(cc(CO)c(C)c1[N+](=O)[O-])[N+](=O)[O-]

CAS 56750-76-6
Molecular Weight (g/mol) 297.31
SMILES CCC(CC)Nc1c(cc(CO)c(C)c1[N+](=O)[O-])[N+](=O)[O-]
Synonym 4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzenemethanol,4-(Hydroxymethyl)pendimethalin,4-[(1-Ethylpropyl)amino]-2-methyl-3,5-dinitrobenzyl alcohol,α4-Hydroxypendimethalin
IUPAC Name [2-methyl-3,5-dinitro-4-(pentan-3-ylamino)phenyl]methanol
Molecular Formula C13 H19 N3 O5
5

(S)-3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one, TRC

CAS: 130676-64-1 Molecular Formula: C22 H40 O2 Molecular Weight (g/mol): 336.55 Synonym: (S)-3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one (9CI) IUPAC Name: (2S)-5-hexyl-2-undecyl-2,3-dihydropyran-6-one SMILES: CCCCCCCCCCC[C@H]1CC=C(CCCCCC)C(=O)O1

CAS 130676-64-1
Molecular Weight (g/mol) 336.55
SMILES CCCCCCCCCCC[C@H]1CC=C(CCCCCC)C(=O)O1
Synonym (S)-3-Hexyl-5,6-dihydro-6-undecyl-2H-pyran-2-one (9CI)
IUPAC Name (2S)-5-hexyl-2-undecyl-2,3-dihydropyran-6-one
Molecular Formula C22 H40 O2
6

Helipyrone A, TRC

CAS: 29902-01-0 Molecular Formula: C17 H20 O6 Molecular Weight (g/mol): 320.337 Synonym: 3,3'-Methylenebis[6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one],Helipyrone; IUPAC Name: 6-ethyl-3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-4-hydroxy-5-methylpyran-2-one SMILES: CCC1=C(C)C(=C(CC2=C(O)C(=C(CC)OC2=O)C)C(=O)O1)O

CAS 29902-01-0
Molecular Weight (g/mol) 320.337
SMILES CCC1=C(C)C(=C(CC2=C(O)C(=C(CC)OC2=O)C)C(=O)O1)O
Synonym 3,3'-Methylenebis[6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one],Helipyrone;
IUPAC Name 6-ethyl-3-[(6-ethyl-4-hydroxy-5-methyl-2-oxopyran-3-yl)methyl]-4-hydroxy-5-methylpyran-2-one
Molecular Formula C17 H20 O6
7

Citreoviridin (80%, Contain Isocitreoviridin), TRC

CAS: 25425-12-1 Molecular Formula: C23H30O6 Molecular Weight (g/mol): 402.48 Synonym: Citreoviridin A,Citreoviridine,Citreoviridine A,5-Hydroxy-3-methoxy-4,12-dimethyl-13-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furyl)-2,4,6,8,10,12-tridecahexaenoic Acid, δ-Lactone,[2S-[2α(1E,3E,5E,7E),3β,4α,5α]]-4-Methoxy-5-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-2H-pyran-2-one,4-Methoxy-5-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furyl)-1,3,5,7-octatetraenyl]-2H-pyran-2-one,2,5-Anhydro-1,6-dideoxy-2-C-[(1E,3E,5E,7E)-8-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-2-methyl-1,3,5,7-octatetraenyl]-4-C-methyl-D-Iditol,6-((1E,3E,5E,7E)-8-((2S,3R,4R,5R)-3,4-Dihydroxy-2,4,5-trimethyltetrahydrofuran-2-yl)-7-methylocta-1,3,5,7-tetraen-1-yl)-4-methoxy-5-methyl-2H-pyran-2-one IUPAC Name: 6-[(1E,3E,5E,7E)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one SMILES: COC1=CC(=O)OC(=C1C)\C=C\C=C\C=C\C(=C\[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)\C

CAS 25425-12-1
Molecular Weight (g/mol) 402.48
SMILES COC1=CC(=O)OC(=C1C)\C=C\C=C\C=C\C(=C\[C@]2(C)O[C@H](C)[C@](C)(O)[C@H]2O)\C
Synonym Citreoviridin A,Citreoviridine,Citreoviridine A,5-Hydroxy-3-methoxy-4,12-dimethyl-13-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furyl)-2,4,6,8,10,12-tridecahexaenoic Acid, δ-Lactone,[2S-[2α(1E,3E,5E,7E),3β,4α,5α]]-4-Methoxy-5-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furanyl)-1,3,5,7-octatetraenyl]-2H-pyran-2-one,4-Methoxy-5-methyl-6-[7-methyl-8-(tetrahydro-3,4-dihydroxy-2,4,5-trimethyl-2-furyl)-1,3,5,7-octatetraenyl]-2H-pyran-2-one,2,5-Anhydro-1,6-dideoxy-2-C-[(1E,3E,5E,7E)-8-(4-methoxy-5-methyl-2-oxo-2H-pyran-6-yl)-2-methyl-1,3,5,7-octatetraenyl]-4-C-methyl-D-Iditol,6-((1E,3E,5E,7E)-8-((2S,3R,4R,5R)-3,4-Dihydroxy-2,4,5-trimethyltetrahydrofuran-2-yl)-7-methylocta-1,3,5,7-tetraen-1-yl)-4-methoxy-5-methyl-2H-pyran-2-one
IUPAC Name 6-[(1E,3E,5E,7E)-8-[(2S,3R,4R,5R)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraenyl]-4-methoxy-5-methylpyran-2-one
Molecular Formula C23H30O6
8

Endothion, TRC

CAS: 2778-04-3 Molecular Formula: C9 H13 O6 P S Molecular Weight (g/mol): 280.235 Synonym: Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-5-methoxy-4H-pyran-4-one (6CI,7CI,8CI),5-Methoxy-2-(dimethoxyphosphinylthiomethyl)pyrone-4,AC-18737,Endocid,Endocide,Endothion,Niagara 5767,S-(5-Methoxy-4-pyron-2-ylmethyl) O,O-dimethyl phosphorothioate,S-[(5-Methoxy-4-oxo-4H-pyran-2-yl)methyl] O,O-dimethylphosphorothioate,Phosphorothioic acid, S-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl] O,O-dimethyl ester,S-((5-Methoxy-4-oxo-4H-pyran-2-yl)methyl) O,O-dimethyl Phosphorothioate; IUPAC Name: 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxy-pyran-4-one SMILES: COC1=COC(=CC1=O)CSP(=O)(OC)OC

CAS 2778-04-3
Molecular Weight (g/mol) 280.235
SMILES COC1=COC(=CC1=O)CSP(=O)(OC)OC
Synonym Phosphorothioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-5-methoxy-4H-pyran-4-one (6CI,7CI,8CI),5-Methoxy-2-(dimethoxyphosphinylthiomethyl)pyrone-4,AC-18737,Endocid,Endocide,Endothion,Niagara 5767,S-(5-Methoxy-4-pyron-2-ylmethyl) O,O-dimethyl phosphorothioate,S-[(5-Methoxy-4-oxo-4H-pyran-2-yl)methyl] O,O-dimethylphosphorothioate,Phosphorothioic acid, S-[(5-methoxy-4-oxo-4H-pyran-2-yl)methyl] O,O-dimethyl ester,S-((5-Methoxy-4-oxo-4H-pyran-2-yl)methyl) O,O-dimethyl Phosphorothioate;
IUPAC Name 2-(dimethoxyphosphorylsulfanylmethyl)-5-methoxy-pyran-4-one
Molecular Formula C9 H13 O6 P S
9

Dehydro Simvastatin, TRC

CAS: 210980-68-0 Molecular Formula: C25 H36 O4 Molecular Weight (g/mol): 400.55 Synonym: (1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-[2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate,Simvastatin Imp. C (EP),Anhydrosimvastatin IUPAC Name: [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12

CAS 210980-68-0
Molecular Weight (g/mol) 400.55
SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
Synonym (1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-[2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate,Simvastatin Imp. C (EP),Anhydrosimvastatin
IUPAC Name [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
Molecular Formula C25 H36 O4
10

Dehydro Lovastatin, TRC

CAS: 109273-98-5 Molecular Formula: C24 H34 O4 Molecular Weight (g/mol): 386.52 Synonym: (1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-[2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl,Lovastatin Imp. C (EP),Dehydrolovastatin IUPAC Name: [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12

CAS 109273-98-5
Molecular Weight (g/mol) 386.52
SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]12
Synonym (1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-[2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl,Lovastatin Imp. C (EP),Dehydrolovastatin
IUPAC Name [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
Molecular Formula C24 H34 O4