(8Xi,9Xi,14Xi,17β)-2-(Adamantan-1-Yl)Estra-1(10),2,4-Triene-3,17-Diol
Properties
Property | Value |
---|---|
Formula | C28H38O2 |
IUPAC Name | (8r,9s,13s,14s,17s)-2-(1-adamantyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
Molecular Mass | 406.600 g·mol−1 |
Heat of Formation | -516.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.82 ± 1.08 D |
Volume | 507.79 Å 3 |
Surface Area | 400.16 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | 0.03 ± eV |
Point Group Symmetry | C1 |
InChIKey | ODXBOHCGAVECCC-VMFHDDAQSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |