6-Dehydroprogesterone[6-脱氢孕酮]

1162-56-7

CAS Name

Pregna-4,6-diene-3,20-dione

Molecular Formula

C₂₁H₂₈O₂

Molecular Mass

312.45

Compound Properties

• Melting Point (1)

  147-148 °C

Source(s)

• (1) CH236309, 1945, CAplus

Other Names and Identifiers

InChI

InChI=1S/C21H28O2/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/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1

InChIKey

InChIKey=JGMOKGBVKVMRFX-LEKSSAKUSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@H](C(C)=O)CC4)[H])(C=CC1=CC(=O)CC2)[H])[H]

Canonical SMILES

O=C1C=C2C=CC3C(CCC4(C)C(C(=O)C)CCC34)C2(C)CC1

Other Names for this Substance