(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-Acetyl-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydro-11-hydroxy-10a,12a-dimethyl-8-oxo-1-chrysenyl butanoate

CAS Registry Number®

66877-67-6
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CAS Name

(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-Acetyl-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydro-11-hydroxy-10a,12a-dimethyl-8-oxo-1-chrysenyl butanoate

Molecular Formula

C26H36O5

Molecular Mass

428.56

Cite this Page

(1R,4aS,4bS,10aR,10bS,11S,12aS)-1-Acetyl-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydro-11-hydroxy-10a,12a-dimethyl-8-oxo-1-chrysenyl butanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=66877-67-6 (retrieved 2024-04-27) (CAS RN: 66877-67-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H36O5/c1-5-7-22(30)31-26(16(2)27)12-6-8-20-19-10-9-17-14-18(28)11-13-24(17,3)23(19)21(29)15-25(20,26)4/h11,13-14,19-21,23,29H,5-10,12,15H2,1-4H3/t19-,20-,21-,23+,24-,25-,26-/m0/s1

InChIKey

InChIKey=IYBYNRHXGXDDDS-VRRJBYJJSA-N

SMILES

O(C(CCC)=O)[C@@]1(C(C)=O)[C@]2(C)[C@]([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)C=C4)[H])[H])(CCC1)[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C4CCCC(OC(=O)CCC)(C(=O)C)C4(C)CC(O)C32)C

Other Names for this Substance

  • Butanoic acid, (1R,4aS,4bS,10aR,10bS,11S,12aS)-1-acetyl-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydro-11-hydroxy-10a,12a-dimethyl-8-oxo-1-chrysenyl ester
  • D-Homopregna-1,4-diene-3,20-dione, 11-hydroxy-17a-(1-oxobutoxy)-, (11β)-
  • (1R,4aS,4bS,10aR,10bS,11S,12aS)-1-Acetyl-1,2,3,4,4a,4b,5,6,8,10a,10b,11,12,12a-tetradecahydro-11-hydroxy-10a,12a-dimethyl-8-oxo-1-chrysenyl butanoate
  • Stermonid
  • Domoprednate

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