β-D-Glucopyranosyl (3β,16α)-3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate
CAS Registry Number®
CAS Name
β-D-Glucopyranosyl (3β,16α)-3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oateMolecular Formula
C53H86O23Molecular Mass
1091.24Cite this Page
β-D-Glucopyranosyl (3β,16α)-3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=289649-66-7 (retrieved ) (CAS RN: 289649-66-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3/t23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,50-,51+,52+,53+/m0/s1
InChIKey
InChIKey=AHEWVDSAOCOLCK-PZPSBMICSA-N
SMILES
C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(=O)[C@]23[C@](C=4[C@@](C)(C[C@H]2O)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)(C(C)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O[C@@H]9O[C@H](CO)[C@@H](O)[C@H](O)[C@H]9O)[C@H](O)[C@@H](CO)O8)[C@@H](O)CO7)CC6)[H])[H])(CC(C)(C)CC3)[H]
Canonical SMILES
O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(OC7OCC(O)C(OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)-α-L-arabinopyranosyl)oxy]-16-hydroxy-, β-D-glucopyranosyl ester, (3β,16α)-
- β-D-Glucopyranosyl (3β,16α)-3-[(O-β-D-glucopyranosyl-(1→3)-O-β-D-glucopyranosyl-(1→3)-α-L-arabinopyranosyl)oxy]-16-hydroxyolean-12-en-28-oate
- Araliasaponin III
- Araliasaponin III (Aralia elata)