Pentarane A

CAS Registry Number®

38522-51-9
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CAS Name

Pentarane A

Molecular Formula

C25H36O2

Molecular Mass

368.55

Cite this Page

Pentarane A.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=38522-51-9 (retrieved 2024-04-19) (CAS RN: 38522-51-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O2/c1-16(26)25-11-5-4-6-18(25)15-22-20-8-7-17-14-19(27)9-12-23(17,2)21(20)10-13-24(22,25)3/h14,18,20-22H,4-13,15H2,1-3H3/t18-,20-,21+,22+,23+,24+,25+/m1/s1

InChIKey

InChIKey=QRVBGQLTPQQFJY-IEHCJHDVSA-N

SMILES

C(C)(=O)[C@]12[C@]3(C)[C@@](C[C@]1(CCCC2)[H])([C@]4([C@](CC3)([C@]5(C)C(CC4)=CC(=O)CC5)[H])[H])[H]

Canonical SMILES

O=C1C=C2CCC3C(CCC4(C)C3CC5CCCCC54C(=O)C)C2(C)CC1

Other Names for this Substance

  • 16,24-Cyclo-21-norchol-4-en-3-one, 17-acetyl-, (16β,17α)-
  • (16β,17α)-17-Acetyl-16,24-cyclo-21-norchol-4-en-3-one
  • 1′,2′,3′,4′,5′,6′-Hexahydrobenzo[16,17]preg-4-ene-3,20-dione
  • Pentarane A
  • 16α,17α-Cyclohexanopregn-4-ene-3,20-dione

Deleted or Replaced CAS Registry Numbers

63344-14-9

CAS INSIGHTSTM
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