1-{[(3β)-3-Hydroxychol-5-En-22-Yl]Oxy}-3H-Phenoxazin-2(10H)-One

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Formula C36H49NO4
IUPAC Name 1-[(1s,2s)-1-ethyl-2-[(3s,8s,9s,10r,13s,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl]propoxy]-4,10-dihydro-3h-phenoxazine-1,4-diid-2-one
Molecular Mass 559.779 g·mol−1
Heat of Formation -630.2 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 691.09 Å 3
Surface Area 530.51 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey CVZICIUHKUXMCS-QKUFUMLUSA-N
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