Epicholesterol

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Properties Simple | Detailed

Formula C27H46O
IUPAC Name (3r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 386.654 g·mol−1
Heat of Formation -528.0 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 538.79 Å 3
Surface Area 422.56 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(2r)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3r,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • cholest-5-en-3alpha-ol
  • lmst01010081
InChIKey HVYWMOMLDIMFJA-VEIPTCAHSA-N
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Elements H C O