(1S,2R,6R,7R,8R,9R,12S,13R,14S)-12,13,14-Trihydroxy-6-Isopropyl-9,13-Dimethyl-3-Methylene-15-Oxatricyclo[6.6.1.0~2,7~]Pentadec-9-Yl Butyrate
Properties
Property | Value |
---|---|
Formula | C24H40O6 |
IUPAC Name | (1s,2r,6r,7r,8r,9r,12s,13r,14s)-12,13,14-trihydroxy-6-isopropyl-9,13-dimethyl-3-methylene-15-oxatricyclo[6.6.1.0 2,7 ]pentadec-9-yl butyrate |
Molecular Mass | 424.571 g·mol−1 |
Heat of Formation | -1359.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.29 ± 1.08 D |
Volume | 536.93 Å 3 |
Surface Area | 392.48 Å 2 |
HOMO Energy | -9.43 ± 0.55 eV |
LUMO Energy | 1.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | PQYFROFSCDOVOT-NTWQZCSUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |