| CAS Number | 8047-15-2 |
| Catalog Number | AG00GJ0L(AGN-PC-0WAJK2) |
| Chemical Name | sasanquasaponin |
| IUPAC Name | (2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid |
| InChI | InChI=1S/C55H86O24/c1-10-23(2)46(71)79-43-44(72-24(3)60)55(22-59)26(17-50(43,4)5)25-11-12-30-51(6)15-14-32(52(7,21-58)29(51)13-16-53(30,8)54(25,9)18-31(55)61)75-49-41(77-48-38(67)36(65)34(63)28(20-57)74-48)39(68)40(42(78-49)45(69)70)76-47-37(66)35(64)33(62)27(19-56)73-47/h10-11,26-44,47-49,56-59,61-68H,12-22H2,1-9H3,(H,69,70)/b23-10-/t26?,27-,28-,29?,30?,31-,32+,33-,34-,35+,36+,37-,38-,39+,40+,41-,42+,43+,44+,47+,48+,49-,51+,52-,53-,54-,55+/m1/s1 |
| InChI Key | AXNVHPCVMSNXNP-ZELRDNAQSA-N |
| MDL Number | MFCD00081981 |
| Molecular Formula | C55H86O24 |
| Molecular Weight | 1131.2569 |
| SMILES | CC=C(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(O)=O)[C@](C)(CO)C5CC[C@@]34C)C2CC1(C)C |
| Synonyms | Aescin,
Aescusan,
beta Aescin,
beta Escin,
beta-Aescin,
beta-Escin,
Escin,
Escina,
Eskuzan,
Fepalitan,
Feparil,
Flebostasin,
Opino,
opino biomo,
opino-biomo,
opinobiomo,
Reparil,
beta-Escin,
Sapogenins Glycosides,
Aescin,
beta Escin,
Flogencyl,
Saponins,
8047-15-2,
6805-41-0,
11072-93-8,
Sapogenins-glycosides,
s4690,
AKOS037514636,
Escin,
beta-Aescin,
beta-Aescusan,
beta-Aescinu,
beta-Reparil,
opinobiomo,
Flebostasin,
Aescusan,
Fepalitan,
Eskuzan,
Feparil,
Reparil,
Escina,
opino biomo,
opino-biomo,
beta Aescin,
.beta.-Escin,
beta-Aescinu [Czech],
OPINO,
SAPONIN,
UNII-QYK0D6H79O,
C54-H84-O23,
D004928,
D012503,
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