3α,5-Cyclo-5α,17α-pregn-20-yne-6β,17-diol

CAS Registry Number®

7253-33-0

CAS Name

3α,5-Cyclo-5α,17α-pregn-20-yne-6β,17-diol

Molecular Formula

C21H30O2

Molecular Mass

314.46

Cite this Page

3α,5-Cyclo-5α,17α-pregn-20-yne-6β,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7253-33-0 (retrieved 2025-01-30) (CAS RN: 7253-33-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O2/c1-4-20(23)10-7-15-14-11-17(22)21-12-13(21)5-8-19(21,3)16(14)6-9-18(15,20)2/h1,13-17,22-23H,5-12H2,2-3H3/t13-,14+,15+,16+,17-,18+,19-,20+,21+/m1/s1

InChIKey

InChIKey=WKAFEMWJRKMDQQ-HCXFPXEYSA-N

SMILES

C[C@@]12[C@@]3([C@@](C3)(CC1)[H])[C@H](O)C[C@@]4([C@@]2(CC[C@@]5(C)[C@]4(CC[C@]5(C#C)O)[H])[H])[H]

Canonical SMILES

C#CC1(O)CCC2C3CC(O)C45CC5CCC4(C)C3CCC21C

Other Names for this Substance

  • 3α,5-Cyclo-5α,17α-pregn-20-yne-6β,17-diol
  • NSC 63006