17-Hydroxy-16-Methylenepregna-1,4,9(11)-Triene-3,20-Dione

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Properties Simple | Detailed

Formula C22H26O3
IUPAC Name (8s,10s,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-16-methylene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 338.440 g·mol−1
Heat of Formation -370.4 ± 16.7 kJ·mol−1
Dipole Moment 2.99 ± 1.08 D
Volume 421.55 Å 3
Surface Area 334.63 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,10s,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-16-methylene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,17r)-17-acetyl-17-hydroxy-10,13-dimethyl-16-methylidene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
  • (8s,10s,13s,14s,17r)-17-ethanoyl-17-hydroxy-10,13-dimethyl-16-methylidene-6,7,8,12,14,15-hexahydrocyclopenta[a]phenanthren-3-one
  • 16-methylene-17-hptd
  • 16-methylene-17-hydroxypregna-1,4,9(11)-triene-3,20-dione
  • pregna-1,4,9(11)-triene-3,20-dione, 17-hydroxy-16-methylene-
CAS Number(s)
  • 19683-23-9
InChIKey DYQRAHCJWPSDRS-AMGKQAFBSA-N
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