(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-Dihydroxy-8-(Hydroxymethyl)-16-Isopropenyl-4,18-Dimethyl-14-[(1E,3E)-1,3-Nonadien-1-Yl]-5-Oxo-9,13,15,19-Tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]Nonadec-3-En-17-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C37H44O10 |
| IUPAC Name | (1r,2r,6s,7s,8r,10s,11s,12r,14s,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-[(1e,3e)-1,3-nonadien-1-yl]-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.0 1,11 .0 2,6 .0 8,10 .0 12,16 ]nonadec-3-en-17-yl benzoate |
| Molecular Mass | 648.739 g·mol−1 |
| Heat of Formation | -1431.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.68 ± 1.08 D |
| Volume | 760.11 Å 3 |
| Surface Area | 570.1 Å 2 |
| HOMO Energy | -9.36 ± 0.55 eV |
| LUMO Energy | 2.32 ± eV |
| Point Group Symmetry | C1 |
| CAS Number(s) |
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| InChIKey | CGSGRJNIABXQJQ-NSCQCFIPSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |