16-Dehydropregnenolone

CAS Registry Number®

1162-53-4

CAS Name

16-Dehydropregnenolone

Molecular Formula

C21H30O2

Molecular Mass

314.46

Cite this Page

16-Dehydropregnenolone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1162-53-4 (retrieved 2024-11-23) (CAS RN: 1162-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    212-214 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=YLFRRPUBVUAHSR-RRPFGEQOSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(C(C)=O)=CC4)[H])(CC=C1C[C@@H](O)CC2)[H])[H]

Canonical SMILES

O=C(C1=CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C

Other Names for this Substance

  • Pregna-5,16-dien-20-one, 3-hydroxy-, (3β)-
  • Pregna-5,16-dien-20-one, 3β-hydroxy-
  • (3β)-3-Hydroxypregna-5,16-dien-20-one
  • 16-Dehydropregnenolone
  • 3β-Hydroxypregna-5,16-dien-20-one

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