Ethyl [(1S,3R,4S,7R,8S,9S,11S,14S,17R,26S)-4,9,11,19,19-Pentamethyl-5,10,21,24-Tetraoxo-2,6,18,25-Tetraoxaheptacyclo[12.10.1.1~1,8~.0~3,7~.0~11,26~.0~14,23~.0~16,20~]Hexacosa-16(20),22-Dien-17-Yl]Acetate
Properties
Property | Value |
---|---|
Formula | C31H36O10 |
IUPAC Name | ethyl [(1s,3r,4s,7r,8s,9s,11s,14s,17r,26s)-4,9,11,19,19-pentamethyl-5,10,21,24-tetraoxo-2,6,18,25-tetraoxaheptacyclo[12.10.1.1 1,8 .0 3,7 .0 11,26 .0 14,23 .0 16,20 ]hexacosa-16(20),22-dien-17-yl]acetate |
Molecular Mass | 568.612 g·mol−1 |
Heat of Formation | -1691.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.46 ± 1.08 D |
Volume | 648.68 Å 3 |
Surface Area | 496.54 Å 2 |
HOMO Energy | -9.97 ± 0.55 eV |
LUMO Energy | -1.51 ± eV |
Point Group Symmetry | C1 |
InChIKey | NGRMPILGZOCJFL-KWPZRPCSSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |