(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-Dimethyl-17-[(2R,3E,5S)-5-Methyl-3-Hepten-2-Yl]Hexadecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol

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Formula C27H46O
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-17-[(e,1r,4s)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 386.654 g·mol−1
Heat of Formation -525.3 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 541.79 Å 3
Surface Area 421.17 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(e,2r,5s)-5-methylhept-3-en-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,5s,8r,9s,10s,13r,14s,17r)-17-[(e,1r,4s)-1,4-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • 27-nor-(24s)-24-methylcholest-22-en-3beta-ol
  • 27-norergost-22-en-3-ol, (3beta,5alpha,22e,24s)
  • patinosterol
CAS Number(s)
  • 58514-32-2
InChIKey MQDWBAYFXRRHRX-BPTFOWNUSA-N
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