(2β,3β,5β)-2,3,14-Trihydroxypregn-7-ene-6,20-dione

CAS Registry Number®

10162-99-9
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CAS Name

(2β,3β,5β)-2,3,14-Trihydroxypregn-7-ene-6,20-dione

Molecular Formula

C21H30O5

Molecular Mass

362.46

Cite this Page

(2β,3β,5β)-2,3,14-Trihydroxypregn-7-ene-6,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10162-99-9 (retrieved 2024-04-25) (CAS RN: 10162-99-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-173 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O5/c1-11(22)12-5-7-21(26)14-8-16(23)15-9-17(24)18(25)10-19(15,2)13(14)4-6-20(12,21)3/h8,12-13,15,17-18,24-26H,4-7,9-10H2,1-3H3/t12-,13+,15+,17-,18+,19-,20-,21-/m1/s1

InChIKey

InChIKey=VNLQNGYIXVTQRR-NQPIQAHSSA-N

SMILES

O[C@]12C=3[C@@]([C@]4(C)[C@](C(=O)C3)(C[C@@H](O)[C@@H](O)C4)[H])(CC[C@]1(C)[C@@H](C(C)=O)CC2)[H]

Canonical SMILES

O=C1C=C2C(CCC3(C)C(C(=O)C)CCC23O)C4(C)CC(O)C(O)CC14

Other Names for this Substance

  • Pregn-7-ene-6,20-dione, 2,3,14-trihydroxy-, (2β,3β,5β)-
  • 5β-Pregn-7-ene-6,20-dione, 2β,3β,14-trihydroxy-
  • (2β,3β,5β)-2,3,14-Trihydroxypregn-7-ene-6,20-dione
  • Poststerone
  • 2β,3β,14α-Trihydroxy-5β-pregn-7-ene-6,20-dione

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Deleted or Replaced CAS Registry Numbers

23656-59-9, 54392-11-9

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