(1R,2R,6R,7R,8R,9R,10S,12S)-12-Hydroperoxy-9-Hydroxy-6-Isopropyl-3,9-Dimethyl-13-Methylene-15-Oxatricyclo[6.6.1.0~2,7~]Pentadec-3-En-10-Yl Acetate
Properties
Property | Value |
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Formula | C22H34O6 |
IUPAC Name | [(1r,2r,6r,7r,8r,9r,10s,12s)-12-hydroperoxy-9-hydroxy-6-isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-3-en-10-yl] acetate |
Molecular Mass | 394.502 g·mol−1 |
Heat of Formation | -954.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.48 ± 1.08 D |
Volume | 489.37 Å 3 |
Surface Area | 366.56 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | 0.42 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | FWTHLONYJCIPFC-DIHPLBBDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |