(1R,3Ar,4S,8S,8Ar,9S,12S,12As,13S,13Ar)-9,13-Diacetoxy-4-Chloro-13A-Hydroxy-1,8A-Dimethyl-5-Methylene-2-Oxotetradecahydro-2H-Spiro[Benzo[4,5]Cyclodeca[1,2-B]Furan-12,2'-Oxiran]-8-Yl 2-Methylpropanoate
Properties
Property | Value |
---|---|
Formula | C28H39ClO10 |
IUPAC Name | (1r,3ar,4s,8s,8ar,9s,12s,12as,13s,13ar)-9,13-diacetoxy-4-chloro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxotetradecahydro-2h-spiro[benzo[4,5]cyclodeca[1,2-b]furan-12,2'-oxiran]-8-yl 2-methylpropanoate |
Molecular Mass | 571.056 g·mol−1 |
Heat of Formation | -1874.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.60 ± 1.08 D |
Volume | 646.11 Å 3 |
Surface Area | 433.08 Å 2 |
HOMO Energy | -9.98 ± 0.55 eV |
LUMO Energy | 3.71 ± eV |
Point Group Symmetry | C1 |
InChIKey | QOXJMKFHEPATMO-MGBCRWKJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Cl |