4-{[(3β,8Xi,9Xi,14Xi)-3-Benzyl-4-(Hydroxymethyl)Cholestan-3-Yl]Oxy}-4-Oxobutanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C39H60O5 |
| IUPAC Name | 4-[[(3r,4r,5s,8s,9s,10r,13r,14r,17r)-3-benzyl-17-[(1r)-1,5-dimethylhexyl]-4-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid |
| Molecular Mass | 608.891 g·mol−1 |
| Heat of Formation | -1326.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.71 ± 1.08 D |
| Volume | 793.83 Å 3 |
| Surface Area | 574.72 Å 2 |
| HOMO Energy | -9.50 ± 0.55 eV |
| LUMO Energy | -0.06 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DRXYLMAFPVDRFY-ITWHJHGHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |