3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

CAS Registry Number®

2394-69-6

CAS Name

3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione

Molecular Formula

C19H24O3

Molecular Mass

300.39

Cite this Page

3-Hydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2394-69-6 (retrieved 2024-12-04) (CAS RN: 2394-69-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123.5-125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H24O3/c1-12-3-5-14(20)11-13(12)4-6-15-16-7-8-18(22)19(16,2)10-9-17(15)21/h3,5,11,15-16,20H,4,6-10H2,1-2H3/t15-,16-,19-/m0/s1

InChIKey

InChIKey=ZWXONJFCJAGEBA-BXWFABGCSA-N

SMILES

C[C@@]12[C@]([C@H](CCC3=C(C)C=CC(O)=C3)C(=O)CC1)(CCC2=O)[H]

Canonical SMILES

O=C1CCC2(C(=O)CCC2C1CCC3=CC(O)=CC=C3C)C

Other Names for this Substance

  • 1H-Indene-1,5(4H)-dione, hexahydro-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-, (3aS,4S,7aS)-
  • 9,10-Secoandrosta-1,3,5(10)-triene-9,17-dione, 3-hydroxy-
  • 1H-Indene-1,5(4H)-dione, hexahydro-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-, [3aS-(3aα,4α,7aβ)]-
  • (3aS,4S,7aS)-Hexahydro-4-[2-(5-hydroxy-2-methylphenyl)ethyl]-7a-methyl-1H-indene-1,5(4H)-dione
  • Secophenol

View All

Deleted or Replaced CAS Registry Numbers

89764-06-7

CAS INSIGHTSTM
Hourglass and a clock