7,14-Dihydroxypregn-4-Ene-3,20-Dione

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Properties Simple | Detailed

Formula C21H30O4
IUPAC Name (7r,8s,9s,10r,13r,14r,17s)-17-acetyl-7,14-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -847.8 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 425.8 Å 3
Surface Area 330.0 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,8s,9s,10r,13r,14r,17s)-17-acetyl-7,14-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (7r,8s,9s,10r,13r,14r,17s)-17-ethanoyl-7,14-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey NEVVHGHXJACRQZ-OCZHUQCSSA-N
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