(3S,4Ar,7As,8As,8Bs,11R,11Ar,13As,13Br)-11A,13B-Dimethyl-11-[(2R)-6-Methyl-2-Heptanyl]-6-Thioxohexadecahydrocyclopenta[1,2]Phenanthro[9,8A-D][1,3]Oxathiol-3-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C30H48O3S2 |
| IUPAC Name | (3s,4ar,7as,8as,8bs,11r,11ar,13as,13br)-11a,13b-dimethyl-11-[(2r)-6-methyl-2-heptanyl]-6-thioxohexadecahydrocyclopenta[1,2]phenanthro[9,8a-d][1,3]oxathiol-3-yl acetate |
| Molecular Mass | 520.830 g·mol−1 |
| Heat of Formation | -798.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.73 ± 1.08 D |
| Volume | 663.87 Å 3 |
| Surface Area | 518.88 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | 2.11 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YETQGIMUNOTFHL-KSDSGUDKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O |