Cholestane-3β,5α,6β-triol
CAS Registry Number®
1253-84-5
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CAS Name
Cholestane-3β,5α,6β-triolMolecular Formula
C27H48O3Molecular Mass
420.67Cite this Page
Cholestane-3β,5α,6β-triol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1253-84-5 (retrieved ) (CAS RN: 1253-84-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
217-218 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey
InChIKey=YMMFNKXZULYSOQ-RUXQDQFYSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(C[C@@H](O)[C@@]1(O)C[C@@H](O)CC2)[H])[H]
Canonical SMILES
OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2(O)C1)C(C)CCCC(C)C
Other Names for this Substance
- Cholestane-3,5,6-triol, (3β,5α,6β)-
- 5α-Cholestane-3β,5,6β-triol
- (3β,5α,6β)-Cholestane-3,5,6-triol
- Cholestane-3β,5α,6β-triol
- Cholesta-3β,5α,6β-triol
Deleted or Replaced CAS Registry Numbers
72879-16-4, 115510-05-9, 2023759-81-9
