(3β,7β,17α)-Pregn-5-en-20-yne-3,7,17-triol

CAS Registry Number®

1001100-69-1

CAS Name

(3β,7β,17α)-Pregn-5-en-20-yne-3,7,17-triol

Molecular Formula

C21H30O3

Molecular Mass

330.46

Cite this Page

(3β,7β,17α)-Pregn-5-en-20-yne-3,7,17-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1001100-69-1 (retrieved 2024-11-22) (CAS RN: 1001100-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H30O3/c1-4-21(24)10-7-16-18-15(6-9-20(16,21)3)19(2)8-5-14(22)11-13(19)12-17(18)23/h1,12,14-18,22-24H,5-11H2,2-3H3/t14-,15-,16-,17-,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=JJKOQZHWYLMASZ-FJWDNACWSA-N

SMILES

O[C@@H]1[C@]2([C@]3([C@@](C)([C@@](C#C)(O)CC3)CC[C@@]2([C@]4(C)C(=C1)C[C@@H](O)CC4)[H])[H])[H]

Canonical SMILES

C#CC1(O)CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Pregn-5-en-20-yne-3,7,17-triol, (3β,7β,17α)-
  • (3β,7β,17α)-Pregn-5-en-20-yne-3,7,17-triol
  • 17α-Ethynylandrost-5-ene-3β,7β,17β-triol
  • Triolex
  • HE 3286

View All

Deleted or Replaced CAS Registry Numbers

1004264-32-7

CAS INSIGHTSTM
Hourglass and a clock