(3β,5α)-3,17-Dihydroxy-4,4,8,14-tetramethyl-18-norandrosta-11,13(17)-diene-15,16-dione

CAS Registry Number®

139954-00-0
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CAS Name

(3β,5α)-3,17-Dihydroxy-4,4,8,14-tetramethyl-18-norandrosta-11,13(17)-diene-15,16-dione

Molecular Formula

C22H30O4

Molecular Mass

358.47

Cite this Page

(3β,5α)-3,17-Dihydroxy-4,4,8,14-tetramethyl-18-norandrosta-11,13(17)-diene-15,16-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=139954-00-0 (retrieved 2024-04-28) (CAS RN: 139954-00-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H30O4/c1-19(2)13-8-11-21(4)14(20(13,3)10-9-15(19)23)7-6-12-16(24)17(25)18(26)22(12,21)5/h6-7,13-15,23-24H,8-11H2,1-5H3/t13-,14+,15-,20-,21+,22-/m0/s1

InChIKey

InChIKey=KIAKLFLISZCITK-PPAUHQMUSA-N

SMILES

C[C@]12[C@@]([C@]3(C)[C@@](CC1)(C(C)(C)[C@@H](O)CC3)[H])(C=CC=4[C@@]2(C)C(=O)C(=O)C4O)[H]

Canonical SMILES

O=C1C(O)=C2C=CC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C2(C1=O)C

Other Names for this Substance

  • 18-Norandrosta-11,13(17)-diene-15,16-dione, 3,17-dihydroxy-4,4,8,14-tetramethyl-, (3β,5α)-
  • (3β,5α)-3,17-Dihydroxy-4,4,8,14-tetramethyl-18-norandrosta-11,13(17)-diene-15,16-dione
  • Palbinone
  • (-)-Palbinone

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