CAS Registry Number®
78285-90-2
CAS Name
Eclalbasaponin II
Molecular Formula
C36H58O9
Molecular Mass
634.84
Other Names and Identifiers
InChI
InChI=1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24(36)38/h8,20-29,37-41H,9-18H2,1-7H3,(H,42,43)/t20-,21+,22-,23+,24+,25-,26+,27-,28+,29-,33-,34+,35+,36+/m0/s1
InChIKey
InChIKey=WYDPEADEZMZKNM-ZBKPBKBGSA-N
SMILES
C(O)(=O)[C@]12[C@](C=3[C@@](C)(C[C@H]1O)[C@@]4(C)[C@](CC3)([C@]5(C)[C@@](CC4)(C(C)(C)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC5)[H])[H])(CC(C)(C)CC2)[H]
Canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1O
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-(β-D-glucopyranosyloxy)-16-hydroxy-, (3β,16α)-
- (3β,16α)-3-(β-D-Glucopyranosyloxy)-16-hydroxyolean-12-en-28-oic acid
- Eclalbasaponin II
- Ecliptasaponin A
- Echinocystic acid-3-O-glucoside
