(3β,15β)-3,15,17-Trihydroxypregn-5-en-20-one

CAS Registry Number®

80380-40-1
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CAS Name

(3β,15β)-3,15,17-Trihydroxypregn-5-en-20-one

Molecular Formula

C21H32O4

Molecular Mass

348.48

Cite this Page

(3β,15β)-3,15,17-Trihydroxypregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80380-40-1 (retrieved 2024-09-20) (CAS RN: 80380-40-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H32O4/c1-12(22)21(25)11-17(24)18-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(18,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15+,16-,17+,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=VWUZUCWRCBMJNW-YZUCACDQSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](O)CC4)(CC1)[H])[H])([C@H](O)C[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C(C)C1(O)CC(O)C2C3CC=C4CC(O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregn-5-en-20-one, 3,15,17-trihydroxy-, (3β,15β)-
  • (3β,15β)-3,15,17-Trihydroxypregn-5-en-20-one
  • 3β,15β,17α-Trihydroxy-5-pregnen-20-one