(3β,5Alpha,16β)-17-Hydroxy-16-Methyl-20-Oxopregn-9(11)-Ene-3,21-Diyl Diacetate

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Properties Simple | Detailed

Formula C26H38O6
IUPAC Name [2-[(3s,5s,8s,10s,13s,14s,16s,17r)-3-acetoxy-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
Molecular Mass 446.576 g·mol−1
Heat of Formation -693.4 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 546.12 Å 3
Surface Area 434.29 Å 2
Point Group Symmetry C1
Synonyms
  • 16beta-methyl-5alpha-delta 9(11)-pregnene-3beta,17alpha,21-triol-20-one-3beta,21-diacetate
  • [(3s,5s,8s,10s,13s,14s,16s,17r)-17-(2-acetoxyacetyl)-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,5s,8s,10s,13s,14s,16s,17r)-17-(2-acetyloxyacetyl)-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
  • [(3s,5s,8s,10s,13s,14s,16s,17r)-17-(2-acetyloxyethanoyl)-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate
  • acetic acid [(3s,5s,8s,10s,13s,14s,16s,17r)-17-(2-acetoxy-1-oxoethyl)-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
  • acetic acid [(3s,5s,8s,10s,13s,14s,16s,17r)-17-(2-acetoxyacetyl)-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
  • mdpgto-3,21
  • pregn-9(11)-en-20-one, 3,21-bis(acetyloxy)-17-hydroxy-16-methyl-, (3beta,5alpha,16beta)-
CAS Number(s)
  • 50633-44-8
InChIKey LZDXFAIWUWCKMU-QLVSLZPCSA-N
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