(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione

CAS Registry Number®

23930-37-2
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CAS Name

(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione

Molecular Formula

C23H34O5

Molecular Mass

390.51

Cite this Page

(3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=23930-37-2 (retrieved 2024-09-06) (CAS RN: 23930-37-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14-18,21,25H,4-12H2,1-3H3/t14-,15+,16-,17-,18+,21+,22-,23-/m0/s1

InChIKey

InChIKey=QRJOQYLXZPQQMX-FWROMSNXSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3=O)[C@@H](C(COC(C)=O)=O)CC4)[H])(CC[C@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Pregnane-11,20-dione, 21-(acetyloxy)-3-hydroxy-, (3α,5α)-
  • 5α-Pregnane-11,20-dione, 3α,21-dihydroxy-, 21-acetate
  • (3α,5α)-21-(Acetyloxy)-3-hydroxypregnane-11,20-dione
  • 21-Acetoxy-3α-hydroxy-5α-pregnane-11,20-dione
  • Alphadolone acetate

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