Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-21-hydroxy-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,21β)-
CAS Registry Number®
CAS Name
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-21-hydroxy-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,21β)-Molecular Formula
C58H94O26Molecular Mass
1207.35Cite this Page
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-21-hydroxy-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,21β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=135575-15-4 (retrieved ) (CAS RN: 135575-15-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C58H94O26/c1-23-44(81-47-41(71)34(64)26(61)21-75-47)40(70)43(73)48(77-23)82-45-35(65)27(62)22-76-50(45)84-52(74)58-16-15-56(7)24(25(58)17-53(2,3)32(63)18-58)9-10-31-55(6)13-12-33(54(4,5)30(55)11-14-57(31,56)8)80-51-46(39(69)37(67)29(20-60)79-51)83-49-42(72)38(68)36(66)28(19-59)78-49/h9,23,25-51,59-73H,10-22H2,1-8H3
InChIKey
InChIKey=YPIXJXFNNXQYKL-UHFFFAOYSA-N
SMILES
C(OC1C(OC2C(O)C(O)C(OC3C(O)C(O)C(O)CO3)C(C)O2)C(O)C(O)CO1)(=O)C45C(C=6C(C)(CC4)C7(C)C(CC6)C8(C)C(CC7)C(C)(C)C(OC9C(OC%10OC(CO)C(O)C(O)C%10O)C(O)C(O)C(CO)O9)CC8)CC(C)(C)C(O)C5
Canonical SMILES
O=C(OC1OCC(O)C(O)C1OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C45CCC6(C(=CCC7C8(C)CCC(OC9OC(CO)C(O)C(O)C9OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C8CCC76C)C5CC(C)(C)C(O)C4)C
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-21-hydroxy-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β,21β)-
- Acutoside C