(4S,4As,6S,8As)-4,6-Dihydroxy-2-{(1R,2R,3R)-2-(2-Hydroxyethyl)-2-Methyl-3-[(2R)-6-Methyl-2-Heptanyl]Cyclopentyl}-8A-Methyl-4A,5,6,7,8,8A-Hexahydro-1(4H)-Naphthalenone
Properties
| Property | Value |
|---|---|
| Formula | C27H46O4 |
| IUPAC Name | (4r,4ar,6s,8as)-2-[(1s,2r,3r)-3-[(1r)-1,5-dimethylhexyl]-2-(2-hydroxyethyl)-2-methyl-cyclopentyl]-4,6-dihydroxy-8a-methyl-4,4a,5,6,7,8-hexahydronaphthalen-1-one |
| Molecular Mass | 434.652 g·mol−1 |
| Heat of Formation | -1028.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.95 ± 1.08 D |
| Volume | 580.86 Å 3 |
| Surface Area | 450.79 Å 2 |
| HOMO Energy | -9.82 ± 0.55 eV |
| LUMO Energy | -0.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JBBOTAYOANLXIB-ZLPOTBMASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |