3,7,12,22-Tetrahydroxycholestan-26-Oic Acid
Properties
Property | Value |
---|---|
Formula | C27H46O6 |
IUPAC Name | (2r,5s,6s)-5-hydroxy-2-methyl-6-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]heptanoic acid |
Molecular Mass | 466.651 g·mol−1 |
Heat of Formation | 2832.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.09 ± 1.08 D |
Volume | 458.07 Å 3 |
Surface Area | 379.97 Å 2 |
HOMO Energy | -9.17 ± 0.55 eV |
LUMO Energy | -2.67 ± eV |
Point Group Symmetry | C1 |
InChIKey | MDFNVHMQCZHMCN-PHHKFOHVSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O |