(3β,5β,6Alpha)-20-Oxopregnane-3,6,17-Triyl Triacetate

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Properties Simple | Detailed

Formula C27H40O7
IUPAC Name [(3s,5r,6s,8r,9s,10r,13s,14s,17r)-6,17-diacetoxy-17-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 476.602 g·mol−1
Heat of Formation 192.1 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 579.23 Å 3
Surface Area 440.08 Å 2
Point Group Symmetry C1
Synonyms
  • 5beta-pregnane-3alpha,6alpha,17alpha-triol triacetate
  • [(3s,5r,6s,8r,9s,10r,13s,14s,17r)-17-acetyl-3,6-diacetyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,5r,6s,8r,9s,10r,13s,14s,17r)-3,6-diacetoxy-17-acetyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(3s,5r,6s,8r,9s,10r,13s,14s,17r)-3,6-diacetyloxy-17-ethanoyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • pgtriol triacetate
  • pregnane-3,6,17-triol triacetate
CAS Number(s)
  • 113846-07-4
InChIKey CTHSOFYMWQMUQJ-KLZDTNLLSA-N
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