14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol

CAS Registry Number®

116229-13-1
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CAS Name

14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol

Molecular Formula

C20H26O2

Molecular Mass

298.42

Cite this Page

14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=116229-13-1 (retrieved 2024-04-19) (CAS RN: 116229-13-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    240-241 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C20H26O2/c1-18-7-6-16-15-4-3-14(21)12-13(15)2-5-17(16)19(18)8-10-20(18,22)11-9-19/h3-4,12,16-17,21-22H,2,5-11H2,1H3/t16-,17-,18+,19?,20?/m1/s1

InChIKey

InChIKey=YGXXZMDWSWSCSI-UYUJGIFYSA-N

SMILES

C[C@@]12[C@@]3([C@]4([C@](CC1)(C=5C(CC4)=CC(O)=CC5)[H])[H])CCC2(O)CC3

Canonical SMILES

OC1=CC=C2C(=C1)CCC3C2CCC4(C)C5(O)CCC34CC5

Other Names for this Substance

  • 14,21-Cyclo-19-norpregna-1,3,5(10)-triene-3,17-diol
  • Cyclodiol
  • ZK 115194

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