(3β)-3-(Acetyloxy)-16-methylpregna-5,16-dien-20-one

CAS Registry Number®

982-06-9

CAS Name

(3β)-3-(Acetyloxy)-16-methylpregna-5,16-dien-20-one

Molecular Formula

C24H34O3

Molecular Mass

370.52

Cite this Page

(3β)-3-(Acetyloxy)-16-methylpregna-5,16-dien-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=982-06-9 (retrieved 2024-11-22) (CAS RN: 982-06-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172-174 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,18-21H,7-13H2,1-5H3/t18-,19+,20-,21-,23-,24-/m0/s1

InChIKey

InChIKey=NELMHAIFXJZDST-HHNLCZHGSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(=CC3)C[C@@H](OC(C)=O)CC4)(CC1)[H])[H])(CC(C)=C2C(C)=O)[H]

Canonical SMILES

O=C(OC1CC2=CCC3C4CC(=C(C(=O)C)C4(C)CCC3C2(C)CC1)C)C

Other Names for this Substance

  • Pregna-5,16-dien-20-one, 3-(acetyloxy)-16-methyl-, (3β)-
  • Pregna-5,16-dien-20-one, 3β-hydroxy-16-methyl-, acetate
  • (3β)-3-(Acetyloxy)-16-methylpregna-5,16-dien-20-one
  • 3β-Acetoxy-16-methylpregna-5,16-dien-20-one
  • 5,16-Pregnadien-16-methyl-3β-ol-20-one acetate

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