(2E,4E,7E,9S)-9-Hydroxy-10-[(4S,4As,6R,8S,8Ar)-4-({(2S)-2-Hydroxy-2-[(2R,5R,6R)-2-Methoxy-5,6-Dimethyl-4-Methylenetetrahydro-2H-Pyran-2-Yl]Acetyl}Amino)-8-Methoxy-7,7-Dimethylhexahydropyrano[3,2-D][1,3]Dioxin-6-Yl]-2,4,7-Decatrienoic Acid
Properties
Property | Value |
---|---|
Formula | C31H47NO11 |
IUPAC Name | (2e,4e,7e,9s)-10-[(4s,4as,6r,8s,8ar)-4-[[(2s)-2-hydroxy-2-[(2r,5r,6r)-2-methoxy-5,6-dimethyl-4-methylene-tetrahydropyran-2-yl]acetyl]amino]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4h-pyrano[3,2-d][1,3]dioxin-6-yl]-9-hydroxy-deca-2,4,7-trienoic acid |
Molecular Mass | 609.705 g·mol−1 |
Heat of Formation | -1957.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.58 ± 1.08 D |
Volume | 750.72 Å 3 |
Surface Area | 553.0 Å 2 |
HOMO Energy | -9.73 ± 0.55 eV |
LUMO Energy | -0.78 ± eV |
Point Group Symmetry | C1 |
InChIKey | LMFMOBJDPHWCJT-FPFCEQEISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |