(25S)-3-Hydroxycholesta-3,5-Dien-26-Oic Acid

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Formula C27H42O3
IUPAC Name (2s,6r)-6-[(8s,9s,10r,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
Molecular Mass 414.621 g·mol−1
Heat of Formation -798.8 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 552.66 Å 3
Surface Area 443.04 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy 3.58 ± eV
Point Group Symmetry C1
InChIKey NIQOQQMAUFLELB-KMPPVSSLSA-N
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Elements H C O