β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-
CAS Registry Number®
CAS Name
β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-Molecular Formula
C48H76O20Molecular Mass
973.10Cite this Page
β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=214840-33-2 (retrieved ) (CAS RN: 214840-33-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C48H76O20/c1-20-27(52)29(54)31(56)39(63-20)65-35-33(58)36(38(60)61)66-41(34(35)59)67-37-23(51)17-44(4)25(45(37,5)19-50)10-11-47(7)26(44)9-8-21-22-16-43(2,3)12-14-48(22,15-13-46(21,47)6)42(62)68-40-32(57)30(55)28(53)24(18-49)64-40/h8,20,22-37,39-41,49-59H,9-19H2,1-7H3,(H,60,61)/t20-,22-,23-,24+,25+,26+,27-,28+,29+,30-,31+,32+,33-,34+,35-,36-,37-,39-,40-,41-,44-,45-,46+,47+,48-/m0/s1
InChIKey
InChIKey=HELVNAROXHFAIE-QGNBSSKNSA-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)(CC2)[C@@]5(C)[C@](CC4)([C@]6(C)[C@@](CC5)([C@@](CO)(C)[C@@H](O[C@H]7[C@H](O)[C@@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@H](O)[C@@H](C(O)=O)O7)[C@@H](O)C6)[H])[H])(CC(C)(C)CC3)[H]
Canonical SMILES
O=C(O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)CO)C(O)C(OC8OC(C)C(O)C(O)C8O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2,23-dihydroxy-28-oxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-
- 3-β-O-[α-L-Rhamnopyranosyl(1 → 3)-β-glucuronopyranosyl]-2β,3β,23-trihydroxyolean-12-en-28-oic acid 28-O-[β-D-glucopyranosyl] ester