20-Methylpregn-4-En-3-One

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Properties Simple | Detailed

Formula C22H34O
IUPAC Name (8s,9s,10r,13r,14s,17r)-17-isopropyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 314.505 g·mol−1
Heat of Formation -371.5 ± 16.7 kJ·mol−1
Dipole Moment 5.22 ± 1.08 D
Volume 425.81 Å 3
Surface Area 334.43 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-propan-2-yl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13r,14s,17r)-17-isopropyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 20-methylpregn-4-ene-3-one
  • 23,24-dinor-4-cholen-3-one
  • pregn-4-en-3-one, 20-methyl-
CAS Number(s)
  • 38388-19-1
InChIKey ATVHBCDLGLNZIR-GFJXEVPCSA-N
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Elements H C O