(3β)-6-Methyl-20-Oxopregna-4,6-Diene-3,17-Diyl Diacetate

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Properties Simple | Detailed

Formula C26H36O5
IUPAC Name [(3s,8r,9s,10r,13s,14s,17r)-17-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 428.561 g·mol−1
Heat of Formation -1033.4 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 531.43 Å 3
Surface Area 420.97 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,8r,9s,10r,13s,14s,17r)-17-acetyl-3-acetyloxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,8r,9s,10r,13s,14s,17r)-3-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,8r,9s,10r,13s,14s,17r)-3-acetyloxy-17-ethanoyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(3s,8r,9s,10r,13s,14s,17r)-3-acetoxy-17-acetyl-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetomepregenol
  • diamol
  • mepregenol diacetate
  • pregna-4,6-dien-20-one, 3,17-bis(acetyloxy)-6-methyl-, (3-beta)- (9ci)
  • pregna-4,6-dien-20-one, 3-beta,17-dihydroxy-6-methyl-, diacetate
CAS Number(s)
  • 3116-07-2
InChIKey SDHHPVPFUVQWKY-AVHYYFBHSA-N
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