Rotundic Acid
Properties
| Property | Value |
|---|---|
| Formula | C30H48O5 |
| IUPAC Name | (1r,2r,4as,6ar,6as,6br,8ar,9r,10s,12ar,14bs)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| Molecular Mass | 488.699 g·mol−1 |
| Heat of Formation | -1229.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.48 ± 1.08 D |
| Volume | 603.94 Å 3 |
| Surface Area | 428.13 Å 2 |
| HOMO Energy | -9.05 ± 0.55 eV |
| LUMO Energy | 4.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YLHQFGOOMKJFLP-LTFXOGOQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |