(2β,3Alpha,5Alpha,6Alpha,7β,14β,16β,23R)-2,3,6,7,23-Pentahydroxy-16,23-Cyclocholestan-15-One
Properties
Property | Value |
---|---|
Formula | C27H44O6 |
IUPAC Name | (1r,2r,4s,5r,7r,8s,9r,12s,13r,15s,16s,18s,19r,20r)-5,15,16,19,20-pentahydroxy-5-isobutyl-7,9,13-trimethyl-pentacyclo[10.8.0.02,9.04,8.013,18]icosan-3-one |
Molecular Mass | 464.635 g·mol−1 |
Heat of Formation | -1431.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.04 ± 1.08 D |
Volume | 574.89 Å 3 |
Surface Area | 429.78 Å 2 |
HOMO Energy | -9.78 ± 0.55 eV |
LUMO Energy | 0.88 ± eV |
Point Group Symmetry | C1 |
InChIKey | IDHRDQMFJYOCOC-IPKCJDDUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |