(11β)-11,17-Dihydroxy-3,20-Dioxopregn-4-En-21-Yl Octanoate

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Properties Simple | Detailed

Formula C29H44O6
IUPAC Name formaldehyde; (7z)-1-(4-hydroxybuta-1,3-diynyl)-11-prop-1-ynyl-4,5-didehydrocyclodeca[c]furan-6-one; penta-1,3-diyn-1-ol
Molecular Mass 488.656 g·mol−1
Heat of Formation -1284.4 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 614.87 Å 3
Surface Area 504.23 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 11beta,17,21-trihydroxypregn-4-ene-3,20-dione 21-octanoate
  • 11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione 21-caprylate
  • 4-pregnene-11beta,17alpha,21-triol-3,20-dione 21-caprylate
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] octanoate
  • [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] octanoate
  • caprylic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester
  • cortisol octanoate
  • hydrocortisone 21-caprylate
  • hydrocortisone 21-octanoate
  • octanoic acid [2-[(8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester
CAS Number(s)
  • 6678-14-4
InChIKey VWVPRYMOFYIOOZ-KAQKJVHQSA-N
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