Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate

CAS Registry Number®

2681-55-2
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CAS Name

Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate

Molecular Formula

C21H30O3

Molecular Mass

330.46

Cite this Page

Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2681-55-2 (retrieved 2024-05-19) (CAS RN: 2681-55-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    130-131 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1

InChIKey

InChIKey=XWFWMYFLNHTEBF-YFWFAHHUSA-N

SMILES

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

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C(C(=O)OC)CCC34)C2(C)CC1

Other Names for this Substance

  • Androst-4-ene-17-carboxylic acid, 3-oxo-, methyl ester, (17β)-
  • Androst-4-ene-17β-carboxylic acid, 3-oxo-, methyl ester
  • Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate
  • Methyl 4-androsten-3-one 17β-carboxylate
  • 4-Androsten-3-one 17β-carboxylic acid methyl ester

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Deleted or Replaced CAS Registry Numbers

22945-40-0, 84449-14-9

CAS INSIGHTSTM
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