(1R,3R,7E,17β)-17-{(2S,3E,6R)-6-[(3S,5S,7S)-Adamantan-1-Yl]-6-Hydroxy-3-Hexen-2-Yl}-2-Methylene-9,10-Secoestra-5,7-Diene-1,3-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C35H52O3
IUPAC Name (1r,3r)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1s,5r)-5-(1-adamantyl)-5-hydroxy-1-methyl-pent-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-2-methylene-cyclohexane-1,3-diol
Molecular Mass 520.786 g·mol−1
Heat of Formation -712.5 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 683.12 Å 3
Surface Area 464.14 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 3.82 ± eV
Point Group Symmetry C1
InChIKey MOSWJCBKXGNCIG-HBOJQGNGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O