N-Butyl-8-[(13S,17R)-3,17-Dihydroxy-13-Methyl-7,8,9,11,12,13,14,15,16,17-Decahydro-6H-Cyclopenta[A]Phenanthren-17-Yl]-N-Methyl-7-Octynamide
Properties
Property | Value |
---|---|
Formula | C31H45NO3 |
IUPAC Name | n-butyl-8-[(8s,9r,13s,14r,17r)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl]-n-methyl-oct-7-ynamide |
Molecular Mass | 479.694 g·mol−1 |
Heat of Formation | -556.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.27 ± 1.08 D |
Volume | 636.25 Å 3 |
Surface Area | 533.74 Å 2 |
HOMO Energy | -8.83 ± 0.55 eV |
LUMO Energy | 3.18 ± eV |
Point Group Symmetry | C1 |
InChIKey | NMMIXYWKLSLKMM-LLMMMJPWSA-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 |