Androsta-1,4,6-triene-3,17-dione

CAS Registry Number®

633-35-2
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CAS Name

Androsta-1,4,6-triene-3,17-dione

Molecular Formula

C19H22O2

Molecular Mass

282.38

Cite this Page

Androsta-1,4,6-triene-3,17-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=633-35-2 (retrieved 2024-04-23) (CAS RN: 633-35-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    165-166 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H22O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-16H,5-6,8,10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1

InChIKey

InChIKey=DKVSUQWCZQBWCP-QAGGRKNESA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)C(=O)CC4)[H])(C=CC1=CC(=O)C=C2)[H])[H]

Canonical SMILES

O=C1C=CC2(C(C=CC3C2CCC4(C(=O)CCC34)C)=C1)C

Other Names for this Substance

  • Androsta-1,4,6-triene-3,17-dione
  • Δ1,4,6-Androstriene-3,17-dione
  • 1,4,6-Androstatrien-3,17-dione
  • Androstatrienedione

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