Oxabolone

CAS Registry Number®

4721-69-1

CAS Name

Oxabolone

Molecular Formula

C18H26O3

Molecular Mass

290.40

Cite this Page

Oxabolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4721-69-1 (retrieved 2024-11-22) (CAS RN: 4721-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    189 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C18H26O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h10-12,14,16,20-21H,2-9H2,1H3/t10-,11-,12-,14+,16+,18+/m1/s1

InChIKey

InChIKey=GXHBCWCMYVTJOW-YGRHGMIBSA-N

SMILES

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

Canonical SMILES

O=C1C(O)=C2CCC3C(CCC4(C)C(O)CCC34)C2CC1

Other Names for this Substance

  • Estr-4-en-3-one, 4,17-dihydroxy-, (17β)-
  • Estr-4-en-3-one, 4,17β-dihydroxy-
  • (17β)-4,17-Dihydroxyestr-4-en-3-one
  • 4-Hydroxy-19-nortestosterone
  • Oxabolone

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