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Saponine (qualité technique), TRC
Specifica
Specifica
| Nom chimique ou matériau | Saponin (Technical Grade) |
| CAS | 8047-15-2 |
| Formule moléculaire | C62H96O27 |
| Quantité | 25 g |
| Synonyme | Sapogenins Glycosides, Saponosides, 5PD-Lytic |
| Formule InChI | InChI=1S/C62H96O27/c1-10-27(2)54(79)88-51-52(84-28(3)66)62(25-65)33(17-57(51,4)5)32-12-11-30-31(59(32,7)18-39(62)69)13-14-38-58(30,6)16-15-40(60(38,8)24-64)81-23-37-47(86-56-49(43(72)35(68)22-83-56)87-55-46(75)42(71)34(67)21-82-55)29(41(70)48(85-37)53(77)78)20-80-26-61(9)50(76)45(74)44(73)36(19-63)89-61/h10,12,24,29-31,33-52,55-56,63,65,67-76H,11,13-23,25-26H2,1-9H3,(H,77,78)/b27-10-/t29-,30?,31?,33?,34+,35-,36?,37-,38?,39?,40?,41-,42-,43-,44-,45-,46+,47+,48?,49+,50+,51?,52?,55-,56-,58?,59?,60?,61-,62?/m0/s1 |
| SMILES | CC12C(CCC3C2([H])CC=C4C3(C)CC(O)C5(CO)C4([H])CC(C)(C)C(OC(/C(C)=C([H])\C)=O)C5OC(C)=O)([H])C(C)(C=O)C(OC[C@@]6([H])[C@]([H])(O[C@@]7([H])[C@]([H])(O[C@@]8([H])[C@]([H])(O)[C@@]([H])(O)[C@]([H])(O)C([H])([H])O8)[C@@]([H])(O)[C@](O)([H])C([H])([H])O7)[C@@]([H])(COC[C@@]9(C)[C@]([H])(O)[C@@]([H])(O)[C@](O)([H])[C@@]([H])(CO)O9)[C@H](O)[C@@]([H])(C(O)=O)O6)CC1 |
| Nom IUPAC | (2S,3S,4S,5R,6S)-6-(((9-acétoxy-4-formyl-8-hydroxy-8a-(hydroxyméthyl)-4,6b,11,11,14b-pentaméthyl-10-(((Z)-2-méthylbut-2-énoyl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicén-3-yl)oxy)méthyl)-5-(((2S,3R,4S,5S)-4,5-dihydroxy acide roxy-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytétrahydro-2H-pyran-2-yl)oxy)tétrahydro-2H-pyran-2-yl)oxy)-3-hydroxy-4-((((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)-2-méthyltétrahydro-2H-pyran-2-yl)méthoxy)méthyl)tétrahydro-2H-pyran-2-carboxylique |
| Poids moléculaire (g/mol) | 1273.42 |
| Poids de la formule | 1272.61 |
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