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

CAS Registry Number®

1268632-60-5

CAS Name

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

Molecular Formula

C36H58O9

Molecular Mass

634.84

Cite this Page

β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxyurs-12-en-28-oate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1268632-60-5 (retrieved 2024-11-08) (CAS RN: 1268632-60-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H58O9/c1-19-9-14-36(31(43)45-30-29(42)28(41)27(40)22(17-37)44-30)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(39)33(4,18-38)23(32)10-13-35(24,34)6/h7,19-20,22-30,37-42H,8-18H2,1-6H3/t19-,20+,22-,23-,24-,25+,26+,27-,28+,29-,30+,32+,33+,34-,35-,36+/m1/s1

InChIKey

InChIKey=CNLHARKNOPEQIC-CWVWMCCNSA-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)CC6)[H])[H])([C@@H](C)[C@H](C)CC3)[H]

Canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C23CCC(C)C(C)C3C4=CCC5C6(C)CCC(O)C(C)(CO)C6CCC5(C)C4(C)CC2

Other Names for this Substance

  • Urs-12-en-28-oic acid, 3,23-dihydroxy-, β-D-glucopyranosyl ester, (3β,4α)-
  • β-D-Glucopyranosyl (3β,4α)-3,23-dihydroxyurs-12-en-28-oate

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles