(16α,17α,20S)-17-Acetyl-16,24-Cyclochol-4-En-3-One

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Properties Simple | Detailed

Formula C26H38O2
IUPAC Name (4ar,4bs,6as,6bs,7s,10ar,11as,11br)-6b-acetyl-4a,6a,7-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 -521.1 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 492.15 Å 3
Surface Area 366.45 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • 16,24-cyclochol-4-en-3-one, 17-acetyl-, (16beta,17alpha,20s)-
  • 2'-mchp
  • 2'-methyl-16,17-cyclohexaneprogesterone
  • 2'-methyl-16,17-cyclohexanoprogesterone
CAS Number(s)
  • 116169-22-3
InChIKey XLZCFPBMWHIZNL-JJURLJEXSA-N
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