(1S,3R,5E,7E,22E,24S)-9,10-Secoergosta-5,7,10,22-Tetraene-1,3-Diol
Properties
Property | Value |
---|---|
Formula | C28H44O2 |
IUPAC Name | (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-7a-methyl-1-[(e,1r,4s)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
Molecular Mass | 412.648 g·mol−1 |
Heat of Formation | -470.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.13 ± 1.08 D |
Volume | 567.08 Å 3 |
Surface Area | 464.93 Å 2 |
HOMO Energy | -8.39 ± 0.55 eV |
LUMO Energy | 0.15 ± eV |
Point Group Symmetry | C1 |
InChIKey | HKXBNHCUPKIYDM-ZKVKAWQFSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |