(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-Ethyl-7,11,14,15-Tetrahydroxy-6'-[(2R)-2-Hydroxypropyl]-5',6,8,10,12,14,16,28,29-Nonamethyl-3',4',5',6'-Tetrahydro-3H,9H,13H-Spiro[2,26-Dioxabicyclo[23.3.1]Nonacosa-4,18,20-Triene-27,2'-Pyran]-3,9,13-Trione
Properties
Property | Value |
---|---|
Formula | C45H74O11 |
IUPAC Name | (4e,18e,20e)-22-ethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethyl-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-tetrahydropyran]-3,9,13-trione |
Molecular Mass | 791.062 g·mol−1 |
Heat of Formation | -2389.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.35 ± 1.08 D |
Volume | 1030.94 Å 3 |
Surface Area | 691.62 Å 2 |
HOMO Energy | -9.30 ± 0.55 eV |
LUMO Energy | -0.13 ± eV |
Point Group Symmetry | C1 |
InChIKey | MNULEGDCPYONBU-AWJDAWNUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |