(2Z)-4-[(1S,2S,8R,17S,19R)-12,16-Dihydroxy-8,21,21-Trimethyl-5-(3-Methyl-2-Buten-1-Yl)-8-(4-Methyl-3-Penten-1-Yl)-14,18-Dioxo-3,7,20-Trioxahexacyclo[15.4.1.0~2,15~.0~2,19~.0~4,13~.0~6,11~]Docosa-4(13),5,9,11-Tetraen-19-Yl]-2-Methyl-2-Butenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C38H46O9 |
| IUPAC Name | (2z)-4-[(1s,2s,8r,15r,16s,17s,19r)-12,16-dihydroxy-8,21,21-trimethyl-5-(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0 2,15 .0 2,19 .0 4,13 .0 6,11 ]docosa-4(13),5,9,11-tetraen-19-yl]-2-methyl-2-butenoic acid |
| Molecular Mass | 646.766 g·mol−1 |
| Heat of Formation | -1646.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.59 ± 1.08 D |
| Volume | 768.06 Å 3 |
| Surface Area | 499.86 Å 2 |
| HOMO Energy | -8.84 ± 0.55 eV |
| LUMO Energy | 2.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LJUARHDVFLLQMF-CBLNDHTRSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |