Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β)-
CAS Registry Number®
CAS Name
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β)-Molecular Formula
C58H94O25Molecular Mass
1191.35Cite this Page
Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=135545-77-6 (retrieved ) (CAS RN: 135545-77-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C58H94O25/c1-24-44(80-47-41(70)34(63)27(61)22-74-47)40(69)43(72)48(76-24)81-45-35(64)28(62)23-75-50(45)83-52(73)58-17-15-53(2,3)19-26(58)25-9-10-32-55(6)13-12-33(54(4,5)31(55)11-14-57(32,8)56(25,7)16-18-58)79-51-46(39(68)37(66)30(21-60)78-51)82-49-42(71)38(67)36(65)29(20-59)77-49/h9,24,26-51,59-72H,10-23H2,1-8H3
InChIKey
InChIKey=SNUYYOZIHXZPOM-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)CC5
Canonical SMILES
O=C(OC1OCC(O)C(O)C1OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C45CCC(C)(C)CC5C6=CCC7C8(C)CCC(OC9OC(CO)C(O)C(O)C9OC%10OC(CO)C(O)C(O)C%10O)C(C)(C)C8CCC7(C)C6(C)CC4
Other Names for this Substance
- Olean-12-en-28-oic acid, 3-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-, O-β-D-xylopyranosyl-(1→4)-O-6-deoxy-α-L-mannopyranosyl-(1→2)-α-L-arabinopyranosyl ester, (3β)-
- Acutoside B