(4Ar,4Bs,6As,6Bs,10Ar,11As,11Br,13S)-6B-Acetyl-4A,6A,13-Trimethyl-3,4,4A,4B,5,6,6A,6B,7,8,9,10,10A,11,11A,11B,12,13-Octadecahydro-2H-Indeno[2,1-A]Phenanthren-2-One

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Properties Simple | Detailed

Formula C26H38O2
IUPAC Name (4ar,4bs,6as,6bs,10ar,11as,11br,13s)-6b-acetyl-4a,6a,13-trimethyl-4,4b,5,6,7,8,9,10,10a,11,11a,11b,12,13-tetradecahydro-3h-indeno[2,1-a]phenanthren-2-one
Molecular Mass 382.579 g·mol−1
Heat of Formation -537.9 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 497.01 Å 3
Surface Area 374.15 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.05 ± eV
Point Group Symmetry C1
Synonyms
  • 16,24-cyclo-21-norchol-4-en-3-one, 17-acetyl-6-methyl-, (6alpha,16beta,17alpha)-
  • 6alpha-methyl,16alpha,17alpha-cyclohexanoprogesterone
  • pentarane b
CAS Number(s)
  • 58212-84-3
InChIKey OAICPORQJIVREU-SGCXAXHESA-N
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