Cholesteryl Butanoate

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Properties Simple | Detailed

Formula C31H52O2
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-yl] butanoate
Molecular Mass 456.743 g·mol−1
Heat of Formation -760.7 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 631.2 Å 3
Surface Area 504.26 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 4.31 ± eV
Point Group Symmetry C1
InChIKey CKDZWMVGDHGMFR-QFJQCLQISA-N
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Elements H C O