(9β)-29-Hydroxy-3,23-Dioxo-9,19-Cyclolanostan-28-Yl Hydrogen Sulfate
Properties
Property | Value |
---|---|
Formula | C30H48O7S |
IUPAC Name | [(1s,3r,7s,8r,11s,12s,15r,16r)-15-[(1r)-1,5-dimethyl-3-oxo-hexyl]-7-(hydroxymethyl)-12,16-dimethyl-6-oxo-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methyl hydrogen sulfate |
Molecular Mass | 552.763 g·mol−1 |
Heat of Formation | -1460.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.69 ± 1.08 D |
Volume | 675.66 Å 3 |
Surface Area | 509.71 Å 2 |
HOMO Energy | -9.99 ± 0.55 eV |
LUMO Energy | -0.17 ± eV |
Point Group Symmetry | C1 |
InChIKey | CCRYNKGKKAVQTA-JNRXYXSHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O |