1-{4-[(3α,13α,14Beta,17α)-3-Hydroxy-4,4,14-Trimethylandrost-7-En-17-Yl]-1H-Pyrrol-2-Yl}-2-Methyl-1-Propanone
Properties
Property | Value |
---|---|
Formula | C30H45NO2 |
IUPAC Name | 1-[3-[(3r,5r,9r,10r,13s,14s,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-pyrrol-1-ium-2-ylium-5-yl]-2-methyl-propan-1-one |
Molecular Mass | 451.684 g·mol−1 |
Heat of Formation | -500.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.55 ± 1.08 D |
Volume | 590.73 Å 3 |
Surface Area | 447.95 Å 2 |
HOMO Energy | -9.00 ± 0.55 eV |
LUMO Energy | -0.06 ± eV |
Point Group Symmetry | C1 |
InChIKey | OYZKNOGIJLFQSF-IMJUUJEHSA-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 |