(3S)-5-[(1R,4Ar,6S,8Ar)-6-{[(2E)-3-(4-Hydroxyphenyl)-2-Propenoyl]Oxy}-2,5,5-Trimethyl-1,4,4A,5,6,7,8,8A-Octahydro-1-Naphthalenyl]-3-Methylpentanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C28H38O5 |
| IUPAC Name | (3s)-5-[(1r,4ar,6s,8ar)-2,5,5-trimethyl-6-[(e)-3-(4-oxocyclohexa-2,5-dien-1-yl)prop-2-enoyl]oxy-4,4a,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-3-methyl-pentanoic acid |
| Molecular Mass | 454.598 g·mol−1 |
| Heat of Formation | -995.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.83 ± 1.08 D |
| Volume | 584.51 Å 3 |
| Surface Area | 484.61 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | 2.15 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZSKLTPLHCIUPKA-LOWUFNJHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |