(3β,5β)-3,5,14-Trihydroxycholest-7-En-6-One

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Properties Simple | Detailed

Formula C27H44O4
IUPAC Name (3s,5s,9r,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5,14-trihydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Molecular Mass 432.636 g·mol−1
Heat of Formation -997.1 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 564.46 Å 3
Surface Area 429.85 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,9r,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-3,5,14-trihydroxy-10,13-dimethyl-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
InChIKey QBBDFCFQBGMQAR-HXRMJRLBSA-N
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