Decyl (11β,17Alpha)-11,17-Dihydroxy-17-Methyl-3-Oxoandrosta-1,4-Diene-2-Carboxylate

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Properties Simple | Detailed

Formula C27H14O5
IUPAC Name decyl (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2-carboxylate
Molecular Mass 418.397 g·mol−1
Heat of Formation -1129.7 ± 16.7 kJ·mol−1
Dipole Moment 8.51 ± 1.08 D
Volume 653.03 Å 3
Surface Area 538.96 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2-carboxylic acid decyl ester
  • (8s,9s,10r,11s,13s,14s,17r)-11,17-dihydroxy-3-keto-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-2-carboxylic acid decyl ester
  • 11,17-dihydroxy-17-methyl-3-oxo-androsta-1,4-diene-2-carboxylic acid, decyl ester
  • androsta-1,4-diene-2-carboxylic acid, 11,17-dihydroxy-17-methyl-3-oxo-, decyl ester, (11beta,17beta)-
  • br 917
  • br-917
  • decylroxibolone
CAS Number(s)
  • 60023-91-8
InChIKey QAXZEBWVHGLRCX-JWHDWHCNSA-N
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