Cholesta-8,14-diene-3,6-diol, (3β,5α,6α)-

CAS Registry Number®

84765-66-2
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CAS Name

Cholesta-8,14-diene-3,6-diol, (3β,5α,6α)-

Molecular Formula

C27H44O2

Molecular Mass

400.64

Cite this Page

Cholesta-8,14-diene-3,6-diol, (3β,5α,6α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=84765-66-2 (retrieved 2024-09-19) (CAS RN: 84765-66-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h10,17-19,21,24-25,28-29H,6-9,11-16H2,1-5H3/t18-,19+,21-,24-,25+,26-,27-/m1/s1

InChIKey

InChIKey=CZXLHIZQQUJTND-YSEAIQEJSA-N

SMILES

C[C@@]12C3=C(C=4[C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])C[C@H](O)[C@]1(C[C@@H](O)CC2)[H]

Canonical SMILES

OC1CCC2(C3=C(C4=CCC(C(C)CCCC(C)C)C4(C)CC3)CC(O)C2C1)C

Other Names for this Substance

  • Cholesta-8,14-diene-3,6-diol, (3β,5α,6α)-
  • Thurberol
  • Thurberol dibenzoate