25-Iso-Solafloridine

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Formula C27H45NO2
IUPAC Name (3s,5s,8r,9s,10s,13s,14s,16r,17r)-10,13-dimethyl-17-[(1s)-1-[(3s)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,16-diol
Molecular Mass 415.652 g·mol−1
Heat of Formation -674.2 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 549.83 Å 3
Surface Area 423.47 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
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InChIKey HFOSABNORYNULM-JSALYLKVSA-N
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