(3β)-3,17,21-Trihydroxypregn-5-en-20-one

CAS Registry Number®

1167-48-2
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CAS Name

(3β)-3,17,21-Trihydroxypregn-5-en-20-one

Molecular Formula

C21H32O4

Molecular Mass

348.48

Cite this Page

(3β)-3,17,21-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=1167-48-2 (retrieved 2024-07-06) (CAS RN: 1167-48-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240-242 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1

InChIKey

InChIKey=JNHJGXQUDOYJAK-IYRCEVNGSA-N

SMILES

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

Canonical SMILES

O=C(CO)C1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregn-5-en-20-one, 3,17,21-trihydroxy-, (3β)-
  • Pregn-5-en-20-one, 3β,17,21-trihydroxy-
  • (3β)-3,17,21-Trihydroxypregn-5-en-20-one
  • 3β,17α,21-Trihydroxypregn-5-en-20-one
  • 17,21-Dihydroxypregnenolone

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