(1S,2R,6R,7R,8S,9R,12S,13S)-12-Ethoxy-6-Isopropyl-9,13-Dimethyl-3-Methylene-15-Oxatricyclo[6.6.1.0~2,7~]Pentadecane-9,13-Diol
Properties
Property | Value |
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Formula | C22H38O4 |
IUPAC Name | (1s,2r,6r,7r,8s,9r,12s,13s)-12-ethoxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0 2,7 ]pentadecane-9,13-diol |
Molecular Mass | 366.535 g·mol−1 |
Heat of Formation | -874.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.29 ± 1.08 D |
Volume | 480.32 Å 3 |
Surface Area | 358.02 Å 2 |
HOMO Energy | -9.33 ± 0.55 eV |
LUMO Energy | 1.10 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | USQVENVWDCVTMS-GDRPICJLSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |