(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
Properties
Property | Value |
---|---|
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 |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |