(13α,14Beta,17α,20S,21R,23R,24S)-21-Hydroxy-21,23:24,25-Diepoxylanost-7-En-3-One

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Formula C30H44O4
IUPAC Name (2r,3s,5r)-5-formyl-3-[(4s,5r,9r,10r,13s,14s,17s)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]tetrahydrofuran-2-olate; prop-1-yne
Molecular Mass 468.668 g·mol−1
Heat of Formation -841.2 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 598.7 Å 3
Surface Area 441.31 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 4.08 ± eV
Point Group Symmetry C1
InChIKey ZWXPNDUTGNVQEU-STEPOWRLSA-N
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