(2As,3S,5S,5As,6R,7R,9S,10As,10Bs,10Cr)-3,5,6-Triacetoxy-7,9-Dihydroxy-10A-(2-Hydroxy-2-Propanyl)-5A,8-Dimethyl-4,5,5A,6,7,9,10,10A,10B,10C-Decahydro-2H-1-Oxabenzo[Cd]Cyclopenta[H]Azulen-2A(3H)-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C33H42O12 |
| IUPAC Name | (2as,3s,5s,5as,6r,7r,9s,10as,10bs,10cr)-3,5,6-triacetoxy-7,9-dihydroxy-10a-(2-hydroxy-2-propanyl)-5a,8-dimethyl-4,5,5a,6,7,9,10,10a,10b,10c-decahydro-2h-1-oxabenzo[cd]cyclopenta[h]azulen-2a(3h)-yl benzoate |
| Molecular Mass | 630.679 g·mol−1 |
| Heat of Formation | -2275.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.85 ± 1.08 D |
| Volume | 715.84 Å 3 |
| Surface Area | 481.61 Å 2 |
| HOMO Energy | -9.35 ± 0.55 eV |
| LUMO Energy | -1.05 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LCDWFTPHRBHOQJ-KNIUGVHDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |