3β,5α-Dihydroxycholestan-6-one

CAS Registry Number®

13027-33-3

CAS Name

3β,5α-Dihydroxycholestan-6-one

Molecular Formula

C27H46O3

Molecular Mass

418.65

Cite this Page

3β,5α-Dihydroxycholestan-6-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13027-33-3 (retrieved 2024-11-25) (CAS RN: 13027-33-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    234 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H46O3/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/h17-23,28,30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,25-,26-,27+/m1/s1

InChIKey

InChIKey=SJZZRXMQSAXCFD-ZCBMJONGSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(CC(=O)[C@@]1(O)C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C4(C)CCC(O)CC14O

Other Names for this Substance

  • Cholestan-6-one, 3,5-dihydroxy-, (3β,5α)-
  • 5α-Cholestan-6-one, 3β,5-dihydroxy-
  • (3β,5α)-3,5-Dihydroxycholestan-6-one
  • 3β,5-Dihydroxy-5α-cholestan-6-one
  • Cholestane-3β,5α-diol-6-one

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CAS INSIGHTSTM
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