(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one

CAS Registry Number®

516-16-5
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CAS Name

(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one

Molecular Formula

C21H34O4

Molecular Mass

350.49

Cite this Page

(3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=516-16-5 (retrieved 2024-04-27) (CAS RN: 516-16-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194-200 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H34O4/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/h12-17,19,22-24H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,17-,19+,20-,21-/m0/s1

InChIKey

InChIKey=RHQQHZQUAMFINJ-GKWSUJDHSA-N

SMILES

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

Canonical SMILES

O=C(CO)C1CCC2C3CCC4CC(O)CCC4(C)C3C(O)CC12C

Other Names for this Substance

  • Pregnan-20-one, 3,11,21-trihydroxy-, (3β,5α,11β)-
  • 5α-Pregnan-20-one, 3β,11β,21-trihydroxy-
  • Allocorticosterone, tetrahydro-
  • (3β,5α,11β)-3,11,21-Trihydroxypregnan-20-one
  • Allopregnane-3β,11β,21-triol-20-one

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