(1S,3R,5Z,7E,20S)-1,3-Dihydroxy-24-(1-Piperidinyl)-9,10-Secochola-5,7,10-Trien-24-One

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Formula C29H43NO3
IUPAC Name (z,5e)-5-[(1r,3as,7ar)-7a-methyl-1-[(1s)-1-methyl-4-oxo-4-(2,3,5,6-tetrahydropyridin-1-yl)butyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]-2-methylene-3-[[(2r)-oxiran-2-yl]methyl]pent-3-enal
Molecular Mass 453.657 g·mol−1
Heat of Formation -683.2 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 606.03 Å 3
Surface Area 480.53 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 3.03 ± eV
Point Group Symmetry C1
InChIKey DXWZPQRKPXFQGC-QCUPEZPBSA-N
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