β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

CAS Registry Number®

139742-10-2
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CAS Name

β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-

Molecular Formula

C48H74O20

Molecular Mass

971.09

Cite this Page

β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-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=139742-10-2 (retrieved 2024-09-20) (CAS RN: 139742-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C48H74O20/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/h8,19-20,22-37,39-41,49,51-59H,9-18H2,1-7H3,(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=MMFXDLCKZVIKRE-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@@](C=O)(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=CC1(C)C(OC2OC(C(=O)O)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)C(O)CC4(C)C1CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(CO)C(O)C(O)C8O)CCC65C

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (2β,3β,4α)-28-(β-D-glucopyranosyloxy)-2-hydroxy-23,28-dioxoolean-12-en-3-yl 3-O-(6-deoxy-α-L-mannopyranosyl)-
  • Oleanane, β-D-glucopyranosiduronic acid deriv.
  • Amaranthus saponin II