Calusterone

CAS Registry Number®

17021-26-0
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CAS Name

Calusterone

Molecular Formula

C21H32O2

Molecular Mass

316.48

Cite this Page

Calusterone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17021-26-0 (retrieved 2024-05-18) (CAS RN: 17021-26-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127-129 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C21H32O2/c1-13-11-14-12-15(22)5-8-19(14,2)16-6-9-20(3)17(18(13)16)7-10-21(20,4)23/h12-13,16-18,23H,5-11H2,1-4H3/t13-,16-,17-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=IVFYLRMMHVYGJH-PVPPCFLZSA-N

SMILES

C[C@@H]1[C@@]2([C@@]([C@]3(C)C(C1)=CC(=O)CC3)(CC[C@@]4(C)[C@]2(CC[C@]4(C)O)[H])[H])[H]

Canonical SMILES

O=C1C=C2CC(C)C3C(CCC4(C)C3CCC4(O)C)C2(C)CC1

Other Names for this Substance

  • Androst-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7β,17β)-
  • Androst-4-en-3-one, 17β-hydroxy-7β,17-dimethyl-
  • Testosterone, 7β,17-dimethyl-
  • (7β,17β)-17-Hydroxy-7,17-dimethylandrost-4-en-3-one
  • Calusterone

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