5β-Pregnan-21-ol-3,11,20-trione

CAS Registry Number®

10417-86-4

CAS Name

5β-Pregnan-21-ol-3,11,20-trione

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

5β-Pregnan-21-ol-3,11,20-trione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10417-86-4 (retrieved 2024-11-22) (CAS RN: 10417-86-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12,14-16,19,22H,3-11H2,1-2H3/t12-,14+,15+,16-,19-,20+,21+/m1/s1

InChIKey

InChIKey=ZDUVZJUTJOBJHS-XYEQKYNMSA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C3C(=O)CC4(C)C(C(=O)CO)CCC4C3CCC2C1

Other Names for this Substance

  • Pregnane-3,11,20-trione, 21-hydroxy-, (5β)-
  • 5β-Pregnane-3,11,20-trione, 21-hydroxy-
  • (5β)-21-Hydroxypregnane-3,11,20-trione
  • 5β-Pregnan-21-ol-3,11,20-trione
  • DHA

View All

CAS INSIGHTSTM
Hourglass and a clock