(4aR,4bS,6aS,7R,9aS,9bR)-7-Acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethylcyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one

CAS Registry Number®

105149-00-6

CAS Name

(4aR,4bS,6aS,7R,9aS,9bR)-7-Acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethylcyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one

Molecular Formula

C22H27ClO5

Molecular Mass

406.90

Cite this Page

(4aR,4bS,6aS,7R,9aS,9bR)-7-Acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethylcyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=105149-00-6 (retrieved 2024-11-21) (CAS RN: 105149-00-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    253-255 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C22H27ClO5/c1-12(24)22(28-13(2)25)8-6-16-14-9-18(23)17-10-19(26)27-11-20(17,3)15(14)5-7-21(16,22)4/h9-10,14-16H,5-8,11H2,1-4H3/t14-,15+,16+,20-,21+,22+/m1/s1

InChIKey

InChIKey=KKTIOMQDFOYCEN-OFUYBIASSA-N

SMILES

O(C(C)=O)[C@@]1(C(C)=O)[C@]2(C)[C@@](CC1)([C@]3([C@](CC2)([C@]4(C)C(C(Cl)=C3)=CC(=O)OC4)[H])[H])[H]

Canonical SMILES

O=C1OCC2(C(=C1)C(Cl)=CC3C2CCC4(C)C3CCC4(OC(=O)C)C(=O)C)C

Other Names for this Substance

  • Cyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one, 7-acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethyl-, (4aR,4bS,6aS,7R,9aS,9bR)-
  • 2-Oxapregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-
  • (4aR,4bS,6aS,7R,9aS,9bR)-7-Acetyl-7-(acetyloxy)-11-chloro-4a,4b,5,6,6a,7,8,9,9a,9b-decahydro-4a,6a-dimethylcyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one
  • TZP 4238
  • Osaterone acetate

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration