(3S,3Ar,4S,6S,6Ar,7S,8S,9Bs)-6-Acetoxy-4-(Butyryloxy)-3,3A-Dihydroxy-3,6,9-Trimethyl-8-{[(2Z)-2-Methyl-2-Butenoyl]Oxy}-2-Oxo-2,3,3A,4,5,6,6A,7,8,9B-Decahydroazuleno[4,5-B]Furan-7-Yl Hexanoate
Properties
Property | Value |
---|---|
Formula | C32H46O12 |
IUPAC Name | [(3r,3as,4s,6s,6as,7r,8r,9bs)-6-acetoxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-[(e)-2-methylbut-2-enoyl]oxy-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] hexanoate |
Molecular Mass | 622.700 g·mol−1 |
Heat of Formation | -2397.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.74 ± 1.08 D |
Volume | 753.79 Å 3 |
Surface Area | 519.53 Å 2 |
HOMO Energy | -9.49 ± 0.55 eV |
LUMO Energy | 0.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | LXWLOFYIORKNSA-RQJQECLWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |