(3S,4Ar,5As,6As,6Bs,9R,9Ar,11As,11Br)-5-(1,3-Dioxo-1,3-Dihydro-2H-Isoindol-2-Yl)-9A,11B-Dimethyl-9-[(2R)-6-Methyl-2-Heptanyl]Hexadecahydro-2H-Cyclopenta[1,2]Phenanthro[8A,9-B]Aziren-3-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C37H52N2O4 |
IUPAC Name | (3s,4ar,5as,6as,6bs,9r,9ar,11as,11br)-5-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)-9a,11b-dimethyl-9-[(2r)-6-methyl-2-heptanyl]hexadecahydro-2h-cyclopenta[1,2]phenanthro[8a,9-b]aziren-3-yl acetate |
Molecular Mass | 588.820 g·mol−1 |
Heat of Formation | -698.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.36 ± 1.08 D |
Volume | 744.24 Å 3 |
Surface Area | 572.8 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -1.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | YPVNQSYTFZVXIY-SQMFSRLTSA-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 |