(1S,3R,5Z,7E,20S,22E,24R)-26,27-Cyclo-9,10-Secocholesta-5,7,10,22-Tetraene-1,3,24-Triol
Properties
Property | Value |
---|---|
Formula | C27H40O3 |
IUPAC Name | (1r,3s,5z)-5-[(2e)-2-[(1r,3as,7ar)-1-[(e,1r,4s)-4-cyclopropyl-4-hydroxy-1-methyl-but-2-enyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
Molecular Mass | 412.605 g·mol−1 |
Heat of Formation | -485.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.19 ± 1.08 D |
Volume | 560.08 Å 3 |
Surface Area | 453.0 Å 2 |
HOMO Energy | -8.46 ± 0.55 eV |
LUMO Energy | 0.09 ± eV |
Point Group Symmetry | C1 |
InChIKey | LWQQLNNNIPYSNX-YBVFHFFISA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |