(1S,2S,12S,13R,16S)-2,4,13,16-Tetrahydroxy-12-Methyl-16-(3-Methylbutyl)-15-Oxatetracyclo[11.2.1.0~1,10~.0~3,8~]Hexadeca-3,5,7,9-Tetraene-11,14-Dione
Properties
Property | Value |
---|---|
Formula | C21H24O7 |
IUPAC Name | (1s,2s,12s,13r,16s)-2,4,13,16-tetrahydroxy-12-methyl-16-(3-methylbutyl)-15-oxatetracyclo[11.2.1.0 1,10 .0 3,8 ]hexadeca-3,5,7,9-tetraene-11,14-dione |
Molecular Mass | 388.411 g·mol−1 |
Heat of Formation | -1173.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.33 ± 1.08 D |
Volume | 429.62 Å 3 |
Surface Area | 347.0 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | -1.38 ± eV |
Point Group Symmetry | C1 |
InChIKey | YKZYUGMAWQCYJT-QZVGKJKXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |