(3α,4Beta,20R)-Cholest-5-Ene-3,4-Diol

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Formula C27H46O2
IUPAC Name (3r,4r,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]phenanthrene-3,4-diol
Molecular Mass 402.653 g·mol−1
Heat of Formation -686.5 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 551.43 Å 3
Surface Area 427.75 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy 0.65 ± eV
Point Group Symmetry C1
InChIKey CZDKQKOAHAICSF-REKCHVTFSA-N
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