(3S,5S)-3,5-Dihydroxy-7-{(1S,2R,3R,4S,6R,8S,8Ar)-3,4,6-Trihydroxy-2-Methyl-8-[(2-Methylbutanoyl)Oxy]-1,2,3,4,6,7,8,8A-Octahydro-1-Naphthalenyl}Heptanoic Acid
Properties
Property | Value |
---|---|
Formula | C23H38O9 |
IUPAC Name | (3s,5s)-7-[(1s,2r,3r,4s,6r,8s,8ar)-3,4,6-trihydroxy-2-methyl-8-[(2r)-2-methylbutanoyl]oxy-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxy-heptanoic acid |
Molecular Mass | 458.542 g·mol−1 |
Heat of Formation | -1939.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.79 ± 1.08 D |
Volume | 557.47 Å 3 |
Surface Area | 408.05 Å 2 |
HOMO Energy | -9.93 ± 0.55 eV |
LUMO Energy | 0.50 ± eV |
Point Group Symmetry | C1 |
InChIKey | BVWLCXJEPYNBRS-NYIWCSTDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |