(3β,7α)-7-Hydroxystigmast-5-en-3-yl β-D-glucopyranoside

CAS Registry Number®

112137-81-2

CAS Name

(3β,7α)-7-Hydroxystigmast-5-en-3-yl β-D-glucopyranoside

Molecular Formula

C35H60O7

Molecular Mass

592.85

Cite this Page

(3β,7α)-7-Hydroxystigmast-5-en-3-yl β-D-glucopyranoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112137-81-2 (retrieved 2024-12-27) (CAS RN: 112137-81-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H60O7/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-29-26(13-15-35(24,25)6)34(5)14-12-23(16-22(34)17-27(29)37)41-33-32(40)31(39)30(38)28(18-36)42-33/h17,19-21,23-33,36-40H,7-16,18H2,1-6H3/t20-,21-,23+,24-,25+,26+,27-,28-,29+,30-,31+,32-,33-,34+,35-/m1/s1

InChIKey

InChIKey=CPVAKQVYNLPUBL-MSLCHGNTSA-N

SMILES

O[C@H]1[C@@]2([C@@]([C@]3(C)C(=C1)C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC3)(CC[C@@]5(C)[C@]2(CC[C@@]5([C@@H](CC[C@H](C(C)C)CC)C)[H])[H])[H])[H]

Canonical SMILES

OCC1OC(OC2CC3=CC(O)C4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranoside, (3β,7α)-7-hydroxystigmast-5-en-3-yl
  • (3β,7α)-7-Hydroxystigmast-5-en-3-yl β-D-glucopyranoside
  • 7α-Hydroxysitosterol 3-O-β-D-glucoside

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