(3β,22E,24Xi)-3-Hydroxystigmasta-5,8,22-Trien-7-One

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Formula C29H44O2
IUPAC Name (3s,10s,13r,14r,17r)-17-[(e,1r,4r)-4-ethyl-1,5-dimethyl-hex-2-enyl]-3-hydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Molecular Mass 424.658 g·mol−1
Heat of Formation -513.4 ± 16.7 kJ·mol−1
Dipole Moment 5.60 ± 1.08 D
Volume 576.92 Å 3
Surface Area 449.24 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
InChIKey FETRPHZWIWWTGP-VKALJHIDSA-N
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