(3α,4α,8α,9Beta,13α,14Beta,16Beta,17Z)-3-Hydroxy-4,14-Dimethyl-11-Oxo-16-(Propionyloxy)-18-Norcholesta-17,24-Dien-21-Oic Acid

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Formula C31H40O6
IUPAC Name (z)-3-[(1r,2s,3r)-1-[(e)-7-(cyclobutadienyl)-6-hydroxy-oct-6-en-1,3-diynyl]-2-hydroxy-3-(2-oxoethyl)cyclopropyl]prop-2-enal; hydron; methanol; 3-methylpent-1-ynylcyclobutane; hydrate
Molecular Mass 520.741 g·mol−1
Heat of Formation -79.6 ± 16.7 kJ·mol−1
Dipole Moment 5.91 ± 1.08 D
Volume 783.04 Å 3
Surface Area 564.48 Å 2
HOMO Energy -7.85 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
InChIKey ISLLRJYHCSQDTN-YHMPOWQISA-N
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