Gestodene[孕二烯]

60282-87-3

CAS Name

Gestodene

Molecular Formula

C₂₁H₂₆O₂

Molecular Mass

310.43

Compound Properties

• Melting Point (1)

  197.9 °C

Source(s)

• (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1

InChIKey

InChIKey=SIGSPDASOTUPFS-XUDSTZEESA-N

SMILES

C(C)[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(C=C[C@]2(C#C)O)[H]

Canonical SMILES

O=C1C=C2CCC3C4C=CC(O)(C#C)C4(CC)CCC3C2CC1

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

110541-55-4