(20E)-20-(Methoxyimino)Pregn-4-En-3-One

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Properties Simple | Detailed

Formula C22H33NO2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-[(e)-n-methoxy-c-methyl-carbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 343.503 g·mol−1
Heat of Formation -327.5 ± 16.7 kJ·mol−1
Dipole Moment 4.77 ± 1.08 D
Volume 447.47 Å 3
Surface Area 358.17 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-(n-methoxy-c-methyl-carbonimidoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-(n-methoxy-c-methylcarbonimidoyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-17-[(1e)-1-methoxyiminoethyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • pregn-4-ene-3,20-dione, 20-(o-methyloxime)
  • progesterone-20-(o-methyloxime)
CAS Number(s)
  • 26431-99-2
InChIKey VYLBCLACJZSBPC-RTXDEMRGSA-N
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