Estradiol Dienanthate

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Properties Simple | Detailed

Formula C32H48O4
IUPAC Name [(8r,9s,13s,14s,17s)-17-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] heptanoate
Molecular Mass 496.721 g·mol−1
Heat of Formation -1007.4 ± 16.7 kJ·mol−1
Dipole Moment 1.99 ± 1.08 D
Volume 653.04 Å 3
Surface Area 567.47 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 3.27 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,13s,14s,17s)-3-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] heptanoate
  • enanthic acid [(8r,9s,13s,14s,17s)-3-enanthyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • heptanoic acid [(8r,9s,13s,14s,17s)-13-methyl-3-(1-oxoheptoxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey OVAHZPTYWMWNKO-CAHAWPIUSA-N
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