Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl ester, (3β,16α)-
CAS Registry Number®
CAS Name
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl ester, (3β,16α)-Molecular Formula
C59H96O27Molecular Mass
1237.38Cite this Page
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl ester, (3β,16α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=214219-70-2 (retrieved ) (CAS RN: 214219-70-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C59H96O27/c1-23-34(65)37(68)41(72)48(78-23)83-45-28(20-61)80-50(43(74)39(45)70)84-46-29(21-62)81-51(44(75)40(46)71)86-53(76)59-16-15-54(2,3)17-25(59)24-9-10-31-56(6)13-12-33(55(4,5)30(56)11-14-57(31,7)58(24,8)18-32(59)64)82-52-47(35(66)26(63)22-77-52)85-49-42(73)38(69)36(67)27(19-60)79-49/h9,23,25-52,60-75H,10-22H2,1-8H3/t23-,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48-,49-,50-,51-,52-,56-,57+,58+,59+/m0/s1
InChIKey
InChIKey=ISIYNDLTTHPMEA-MQJBHLQQSA-N
SMILES
C(O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)(=O)[C@]45[C@](C=6[C@@](C)(C[C@H]4O)[C@@]7(C)[C@](CC6)([C@]8(C)[C@@](CC7)(C(C)(C)[C@@H](O[C@H]9[C@H](O[C@@H]%10O[C@H](CO)[C@@H](O)[C@H](O)[C@H]%10O)[C@@H](O)[C@@H](O)CO9)CC8)[H])[H])(CC(C)(C)CC5)[H]
Canonical SMILES
O=C(OC1OC(CO)C(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C1O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OCC(O)C(O)C9OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C8CCC7(C)C6(C)CC4O
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-α-L-arabinopyranosyl)oxy]-16-hydroxy-, O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl ester, (3β,16α)-