(3R,3Ar,5Ar,5Br,7Ar,8S,9R,10R,11Ar,13As,13Br)-9,10-Dihydroxy-3-Isopropyl-3A,5A,8,13A-Tetramethyl-1,2,3,3A,4,5,5A,5B,6,7,7A,8,9,10,11,13,13A,13B-Octadecahydro-11Ah-Cyclopenta[A]Chrysene-8,11A-Dicarboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C30H46O6 |
| IUPAC Name | (3r,3ar,5ar,5br,7ar,8s,9r,10r,11ar,13as,13br)-9,10-dihydroxy-3-isopropyl-3a,5a,8,13a-tetramethyl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysene-8,11a-dicarboxylic acid |
| Molecular Mass | 502.683 g·mol−1 |
| Heat of Formation | -1378.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.34 ± 1.08 D |
| Volume | 619.96 Å 3 |
| Surface Area | 444.91 Å 2 |
| HOMO Energy | -9.58 ± 0.55 eV |
| LUMO Energy | 0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XVMVGCGRZAZPIF-QOYIRNJZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |