Epostane

CAS Registry Number®

80471-63-2
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CAS Name

Epostane

Molecular Formula

C22H31NO3

Molecular Mass

357.49

Cite this Page

Epostane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=80471-63-2 (retrieved 2024-03-28) (CAS RN: 80471-63-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    191-194 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C22H31NO3/c1-18-8-6-16-14(15(18)7-9-20(18,3)25)5-10-22-19(16,2)11-13(12-23)17(24)21(22,4)26-22/h14-16,24-25H,5-11H2,1-4H3/t14-,15-,16-,18-,19+,20-,21+,22-/m0/s1

InChIKey

InChIKey=CETKWEWBSMKADK-GSXVSZIWSA-N

SMILES

C[C@@]12[C@]3([C@](C)(O3)C(O)=C(C#N)C1)CC[C@@]4([C@@]2(CC[C@@]5(C)[C@]4(CC[C@]5(C)O)[H])[H])[H]

Canonical SMILES

N#CC1=C(O)C2(OC32CCC4C(CCC5(C)C4CCC5(O)C)C3(C)C1)C

Other Names for this Substance

  • Androst-2-ene-2-carbonitrile, 4,5-epoxy-3,17-dihydroxy-4,17-dimethyl-, (4α,5α,17β)-
  • 4,5-Epoxy-5H-cyclopenta[a]phenanthrene, androst-2-ene-2-carbonitrile deriv.
  • (4α,5α,17β)-4,5-Epoxy-3,17-dihydroxy-4,17-dimethylandrost-2-ene-2-carbonitrile
  • Epostane
  • Win 32729

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