(9S,10S,12S,13S,14Z,19S,20R)-9,10,12,13-Tetrahydroxy-4,19-Dimethyl-8,11,17-Tris(Methylene)-20-{(2R,3S)-3-[(2S)-2-Pentanyl]-2-Oxiranyl}Oxacycloicosa-3,5,14-Trien-2-One
Properties
| Property | Value |
|---|---|
| Formula | C31H46O7 |
| IUPAC Name | (3e,5z,9s,10s,12s,13s,14z,19s,20r)-9,10,12,13-tetrahydroxy-4,19-dimethyl-20-[(2r,3s)-3-[(1s)-1-methylbutyl]oxiran-2-yl]-8,11,17-trimethylene-1-oxacycloicosa-3,5,14-trien-2-one |
| Molecular Mass | 530.693 g·mol−1 |
| Heat of Formation | -1129.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.70 ± 1.08 D |
| Volume | 694.33 Å 3 |
| Surface Area | 496.71 Å 2 |
| HOMO Energy | -9.60 ± 0.55 eV |
| LUMO Energy | -0.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NFOKXEYWZUZJRF-WAYSXBHVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |