(3α,5β,11β)-3,11,17-Trihydroxypregnan-20-one

CAS Registry Number®

7252-91-7

CAS Name

(3α,5β,11β)-3,11,17-Trihydroxypregnan-20-one

Molecular Formula

C21H34O4

Molecular Mass

350.49

Cite this Page

(3α,5β,11β)-3,11,17-Trihydroxypregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7252-91-7 (retrieved 2024-11-22) (CAS RN: 7252-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H34O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h13-18,23-25H,4-11H2,1-3H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1

InChIKey

InChIKey=VHYUGQIWISVBRT-SUTVCERISA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](O)CC4)[H])([C@@H](O)C1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]

Canonical SMILES

O=C(C)C1(O)CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC21C

Other Names for this Substance

  • Pregnan-20-one, 3,11,17-trihydroxy-, (3α,5β,11β)-
  • (3α,5β,11β)-3,11,17-Trihydroxypregnan-20-one
  • 3α,11β,17α-Trihydroxy-5β-pregnan-20-one
  • Tetrahydro-21-deoxycortisol
  • NSC 53891

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