(3β,16α)-21-(Acetyloxy)-3-hydroxy-16-methylpregn-5-en-20-one

CAS Registry Number®

1173-09-7
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CAS Name

(3β,16α)-21-(Acetyloxy)-3-hydroxy-16-methylpregn-5-en-20-one

Molecular Formula

C24H36O4

Molecular Mass

388.54

Cite this Page

(3β,16α)-21-(Acetyloxy)-3-hydroxy-16-methylpregn-5-en-20-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1173-09-7 (retrieved 2024-08-17) (CAS RN: 1173-09-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    152-154 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H36O4/c1-14-11-20-18-6-5-16-12-17(26)7-9-23(16,3)19(18)8-10-24(20,4)22(14)21(27)13-28-15(2)25/h5,14,17-20,22,26H,6-13H2,1-4H3/t14-,17+,18-,19+,20+,22-,23+,24+/m1/s1

InChIKey

InChIKey=LIZWBGZACPSUNY-MDXUQPGDSA-N

SMILES

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

Canonical SMILES

O=C(OCC(=O)C1C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C

Other Names for this Substance

  • Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-16-methyl-, (3β,16α)-
  • Pregn-5-en-20-one, 3β,21-dihydroxy-16α-methyl-, 21-acetate
  • (3β,16α)-21-(Acetyloxy)-3-hydroxy-16-methylpregn-5-en-20-one