(8Xi,9Xi,14Xi,17β)-3-Methoxyestra-1,3,5(10)-Trien-17-Yl Phenylcarbamate
Properties
Property | Value |
---|---|
Formula | C26H31NO3 |
IUPAC Name | [(8s,9s,13s,14r,17s)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] n-phenylcarbamate |
Molecular Mass | 405.529 g·mol−1 |
Heat of Formation | -470.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.43 ± 1.08 D |
Volume | 496.91 Å 3 |
Surface Area | 412.81 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | 0.10 ± eV |
Point Group Symmetry | C1 |
InChIKey | PQMLUQDWRKGALJ-OXCVBPRPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |