(7α,17α)-17,19-Dihydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one

CAS Registry Number®

105186-35-4

CAS Name

(7α,17α)-17,19-Dihydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one

Molecular Formula

C21H28O3

Molecular Mass

328.45

Cite this Page

(7α,17α)-17,19-Dihydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105186-35-4 (retrieved 2024-12-02) (CAS RN: 105186-35-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    198-201 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H28O3/c1-4-20(23)9-7-16-18-13(2)11-14-12-15(22)5-10-21(14,24)17(18)6-8-19(16,20)3/h1,12-13,16-18,23-24H,5-11H2,2-3H3/t13-,16+,17+,18+,19+,20+,21-/m1/s1

InChIKey

InChIKey=YMNJMUUOXMIQOT-GWXLLEQUSA-N

SMILES

C[C@H]1[C@]2([C@]3([C@@](C)([C@@](C#C)(O)CC3)CC[C@@]2([C@]4(O)C(C1)=CC(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C1C=C2CC(C)C3C(CCC4(C)C3CCC4(O)C#C)C2(O)CC1

Other Names for this Substance

  • 19-Norpregn-4-en-20-yn-3-one, 17,19-dihydroxy-7-methyl-, (7α,17α)-
  • (7α,17α)-17,19-Dihydroxy-7-methyl-19-norpregn-4-en-20-yn-3-one
  • 10β-Hydroxy-Δ4-tibolone

CAS INSIGHTSTM
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