Ethyl (3α,5Beta,7Beta,22R,23R)-3,7-Dihydroxy-22,24-Cyclocholane-23-Carboxylate

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Formula C27H44O4
IUPAC Name ethyl (1r,2r)-2-[(1r)-1-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethyl]cyclopropanecarboxylate
Molecular Mass 432.636 g·mol−1
Heat of Formation -965.9 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 561.25 Å 3
Surface Area 418.71 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 1.00 ± eV
Point Group Symmetry C1
InChIKey AIOMSMGXCLHTAM-NJKSIKMVSA-N
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Elements H C O