Cholesta-5,22-Dien-3.β.-Ol

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Properties Simple | Detailed

Formula C27H44O
IUPAC Name (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 384.638 g·mol−1
Heat of Formation -431.9 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 535.57 Å 3
Surface Area 425.71 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,8s,9s,10r,13r,14s,17r)-10,13-dimethyl-17-[(e,2r)-6-methylhept-3-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • (3s,8s,9s,10r,13r,14s,17r)-17-[(e,1r)-1,5-dimethylhex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
  • cholesta-5,22e-dien-3beta-ol
  • lmst01010095
InChIKey UPGTYLFCVNHBTN-OFAYOZIESA-N
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