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

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Formula C28H42O2
IUPAC Name (3r,10s,13r,14r,17r)-3-hydroxy-10,13-dimethyl-17-[(e,1r,4r)-1,4,5-trimethylhex-2-enyl]-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Molecular Mass 410.632 g·mol−1
Heat of Formation -497.5 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 541.13 Å 3
Surface Area 420.93 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey UOHNARRKDSHFLD-FOVGQGITSA-N
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