Algestone

CAS Registry Number®

595-77-7
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CAS Name

Algestone

Molecular Formula

C21H30O4

Molecular Mass

346.46

Cite this Page

Algestone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=595-77-7 (retrieved 2024-04-25) (CAS RN: 595-77-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    225 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1

InChIKey

InChIKey=CXDWHYOBSJTRJU-SRWWVFQWSA-N

SMILES

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

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C3CC(O)C4(O)C(=O)C)C2(C)CC1

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 16,17-dihydroxy-, (16α)-
  • Pregn-4-ene-3,20-dione, 16α,17-dihydroxy-
  • (16α)-16,17-Dihydroxypregn-4-ene-3,20-dione
  • Alfasone
  • 16α,17α-Dihydroxyprogesterone

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Deleted or Replaced CAS Registry Numbers

22945-39-7

CAS INSIGHTSTM
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