21-Deoxycortisol

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Formula C21H30O4
IUPAC Name (8s,9s,10r,11r,13s,14s,17r)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -846.2 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 428.24 Å 3
Surface Area 333.2 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11r,13s,14s,17r)-17-acetyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,11r,13s,14s,17r)-17-ethanoyl-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
CAS Number(s)
  • 603-98-5
InChIKey LCZBQMKVFQNSJR-CZUPSRJTSA-N
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