Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]-, (11β)-

CAS Registry Number®

81456-46-4

CAS Name

Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]-, (11β)-

Molecular Formula

C28H40O7

Molecular Mass

488.61

Cite this Page

Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]-, (11β)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81456-46-4 (retrieved 2024-11-24) (CAS RN: 81456-46-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H40O7/c1-5-6-7-24(33)35-28(23(32)16-34-17(2)29)13-11-21-20-9-8-18-14-19(30)10-12-26(18,3)25(20)22(31)15-27(21,28)4/h14,20-22,25,31H,5-13,15-16H2,1-4H3/t20-,21-,22-,25+,26-,27-,28-/m0/s1

InChIKey

InChIKey=YHLNSTMFAGIHSR-SLPNHVECSA-N

SMILES

C(COC(C)=O)(=O)[C@]1(OC(CCCC)=O)[C@]2(C)[C@@](CC1)([C@]3([C@]([C@@H](O)C2)([C@]4(C)C(CC3)=CC(=O)CC4)[H])[H])[H]

Canonical SMILES

O=C(OCC(=O)C1(OC(=O)CCCC)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C

Other Names for this Substance

  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-17-[(1-oxopentyl)oxy]-, (11β)-
  • Cortisol 17-valerate 21-acetate
  • Hydrocortisone 17-valerate 21-acetate

CAS INSIGHTSTM
Hourglass and a clock