(2R)-2-[(2R,5S,6R)-5-Methyl-6-{(3E,5E)-6-[(3Ar,4S,7As)-4-(1H-Pyrrol-2-Ylcarbonyl)-2,3,3A,4,5,7A-Hexahydro-1H-Inden-5-Yl]-3,5-Hexadien-3-Yl}Tetrahydro-2H-Pyran-2-Yl]Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C30H41NO4 |
IUPAC Name | (2r)-2-[(2s,5s,6r)-6-[(1e,3e)-4-[(3ar,4s,5r,7as)-4-(pyrrol-1-ium-2-ylium-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1h-inden-5-yl]-1-ethyl-buta-1,3-dienyl]-5-methyl-tetrahydropyran-2-yl]butanoic acid |
Molecular Mass | 479.651 g·mol−1 |
Heat of Formation | -659.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.20 ± 1.08 D |
Volume | 627.53 Å 3 |
Surface Area | 480.53 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | 2.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | XINFXFISYDXMAU-LMPIHYTFSA-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 |