β-D-Glucopyranosiduronic acid, (3β,20β,22β)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-(6-methyl-β-D-glucopyranuronosyl)-, methyl ester

CAS Registry Number®

119418-01-8

CAS Name

β-D-Glucopyranosiduronic acid, (3β,20β,22β)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-(6-methyl-β-D-glucopyranuronosyl)-, methyl ester

Molecular Formula

C44H64O16

Molecular Mass

848.97

Cite this Page

β-D-Glucopyranosiduronic acid, (3β,20β,22β)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-(6-methyl-β-D-glucopyranuronosyl)-, methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=119418-01-8 (retrieved 2024-11-08) (CAS RN: 119418-01-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C44H64O16/c1-39(2)22-10-13-44(7)33(21(45)16-19-20-17-40(3)18-24(57-38(40)53)41(20,4)14-15-43(19,44)6)42(22,5)12-11-23(39)56-37-32(28(49)27(48)31(59-37)35(52)55-9)60-36-29(50)25(46)26(47)30(58-36)34(51)54-8/h16,20,22-33,36-37,46-50H,10-15,17-18H2,1-9H3/t20-,22-,23-,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,36-,37+,40+,41+,42-,43+,44+/m0/s1

InChIKey

InChIKey=KNLZAGGNXKVHGZ-AZFCQWTHSA-N

SMILES

C[C@]12[C@@]3(C)C([C@]4([C@@](C)(CC3)[C@]5(C[C@@](C)(C4)C(=O)O5)[H])[H])=CC(=O)[C@@]1([C@]6(C)[C@@](CC2)(C(C)(C)[C@@H](O[C@H]7[C@H](O[C@@H]8O[C@H](C(OC)=O)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@@H](C(OC)=O)O7)CC6)[H])[H]

Canonical SMILES

O=C(OC)C1OC(OC2C(OC(C(=O)OC)C(O)C2O)OC3CCC4(C)C5C(=O)C=C6C7CC8(C(=O)OC(C8)C7(C)CCC6(C)C5(C)CCC4C3(C)C)C)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β,20β,22β)-22,29-epoxy-11,29-dioxoolean-12-en-3-yl 2-O-(6-methyl-β-D-glucopyranuronosyl)-, methyl ester
  • 4,2-(Epoxymethano)picene, β-D-glucopyranosiduronic acid deriv.
  • Oleanane, β-D-glucopyranosiduronic acid deriv.

CAS INSIGHTSTM
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