β-D-Glucopyranosyl (3β,4α,6β)-3,6,23-trihydroxyolean-12-en-28-oate

CAS Registry Number®

1332859-40-1

CAS Name

β-D-Glucopyranosyl (3β,4α,6β)-3,6,23-trihydroxyolean-12-en-28-oate

Molecular Formula

C36H58O10

Molecular Mass

650.84

Cite this Page

β-D-Glucopyranosyl (3β,4α,6β)-3,6,23-trihydroxyolean-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1332859-40-1 (retrieved 2024-11-25) (CAS RN: 1332859-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H58O10/c1-31(2)11-13-36(30(44)46-29-27(43)26(42)25(41)22(17-37)45-29)14-12-34(5)19(20(36)15-31)7-8-23-32(3)10-9-24(40)33(4,18-38)28(32)21(39)16-35(23,34)6/h7,20-29,37-43H,8-18H2,1-6H3/t20-,21+,22+,23+,24-,25+,26-,27+,28+,29-,32+,33+,34+,35+,36-/m0/s1

InChIKey

InChIKey=ACQGRYACYVKOBB-ONXNPAKPSA-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@@]([C@H](O)C5)([C@@](CO)(C)[C@@H](O)CC6)[H])[H])(CC(C)(C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)(C)CC3C4=CCC5C6(C)CCC(O)C(C)(CO)C6C(O)CC5(C)C4(C)CC2

Other Names for this Substance

  • Olean-12-en-28-oic acid, 3,6,23-trihydroxy-, β-D-glucopyranosyl ester, (3β,4α,6β)-
  • β-D-Glucopyranosyl (3β,4α,6β)-3,6,23-trihydroxyolean-12-en-28-oate
  • 3β,6β,23-Trihydroxyolean-12-en-28-oic acid 28-O-β-D-glucopyranoside

CAS INSIGHTSTM
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