Androst-4-Ene-3β,17β-Diol Dienanthate

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Properties Simple | Detailed

Formula C29H14O4
IUPAC Name buta-1,3-diyn-1-ol; hexa-1,3,5-triyn-1-ol; (4z,9z)-9-methyl-13-methylene-bicyclo[8.7.0]heptadeca-1,2,4,9-tetraen-7,11,16-triyne-6,14-dione
Molecular Mass 426.419 g·mol−1
Heat of Formation -1133.4 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 689.94 Å 3
Surface Area 583.56 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 4.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,8r,9s,10r,13s,14s,17s)-3-heptanoyloxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] heptanoate
  • addea
  • androst-4-ene-3,17-diol, diheptanoate, (3beta,17beta)-
  • androst-4-ene-3beta,17beta-diol diheptanoate
  • enanthic acid [(3s,8r,9s,10r,13s,14s,17s)-3-enanthyloxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • heptanoic acid [(3s,8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-(1-oxoheptoxy)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
CAS Number(s)
  • 81340-54-7
InChIKey HRJJFVJCPGNUMA-HFETUNNBSA-N
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