Cholesterol glucuronide

CAS Registry Number®

17435-78-8

CAS Name

Cholesterol glucuronide

Molecular Formula

C33H54O7

Molecular Mass

562.78

Cite this Page

Cholesterol glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17435-78-8 (retrieved 2024-11-25) (CAS RN: 17435-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H54O7/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(13-15-32(20,4)25(22)14-16-33(23,24)5)39-31-28(36)26(34)27(35)29(40-31)30(37)38/h9,18-19,21-29,31,34-36H,6-8,10-17H2,1-5H3,(H,37,38)/t19-,21+,22+,23-,24+,25+,26+,27+,28-,29+,31-,32+,33-/m1/s1

InChIKey

InChIKey=IJLBJBCDNYOWPJ-MVMUGOIMSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC=C1C[C@@H](O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)CC2)[H])[H]

Canonical SMILES

O=C(O)C1OC(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCCC(C)C)C3(C)CC2)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, (3β)-cholest-5-en-3-yl
  • Glucopyranosiduronic acid, cholest-5-en-3β-yl, β-D-
  • Glucopyranosiduronic acid, cholesteryl
  • β-D-Glucosiduronic acid, cholesteryl
  • Cholestane, β-D-glucopyranosiduronic acid deriv.

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Deleted or Replaced CAS Registry Numbers

6908-13-0

CAS INSIGHTSTM
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