(3α,5β,6α)-3,6-Dihydroxypregnan-20-one

CAS Registry Number®

570-78-5

CAS Name

(3α,5β,6α)-3,6-Dihydroxypregnan-20-one

Molecular Formula

C21H34O3

Molecular Mass

334.49

Cite this Page

(3α,5β,6α)-3,6-Dihydroxypregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=570-78-5 (retrieved 2024-11-22) (CAS RN: 570-78-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-193 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1

InChIKey

InChIKey=HHUZGDMRRLQZIQ-PXWUZWBYSA-N

SMILES

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

Canonical SMILES

O=C(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Pregnan-20-one, 3,6-dihydroxy-, (3α,5β,6α)-
  • 5β-Pregnan-20-one, 3α,6α-dihydroxy-
  • (3α,5β,6α)-3,6-Dihydroxypregnan-20-one
  • 5β-Pregnan-3α,6α-diol-20-one
  • 3α,6α-Dihydroxy-5β-pregnan-20-one

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