Griseochelin
2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid
Also Known As: Griseochelin|Zincophorin|Antibiotic M144255|BS-1304|Griseochelin; Zincophorin; M 144255|2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid|2H-Pyran-2-acetic acid, tetrahydro-alpha,5-dimethyl-6-(2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadienyl)-|2H-Pyran-2-acetic acid, tetrahydro-alpha,5-dimethyl-6-(2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadienyl)-, (2S-(2-alpha(R*),5-alpha,6-beta(1R*,2R*,3R*,4R*,5R*,6S*,9E,11S*,12S*,13E,15S*)))-|2-(5-methyl-6-((10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl)oxan-2-yl)propanoic acid|2-[5-methyl-6-(3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl)oxan-2-yl]propanoic acid|Tetrahydro-alpha,5-dimethyl-6-(2,4,6,12-tetrahydroxy-1,3,5,11,13,15-hexamethyl-9,13-octadecadienyl)-2H-pyran-2-acetic acid
| Molecular Formula | C33H60O7 |
|---|---|
| Molecular Weight | 568.4339 g/mol |
| LogP | 5.5977 |
| Topological Polar Surface Area | 127.45 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 568.4339 |
| Monoisotopic Mass | 568.4339 |
| Heavy Atoms | 40 |
| Complexity | 795.66846 |
Chemical Identifiers
| CAS Number | 95673-10-2 |
|---|---|
| SMILES | CCCC(C)/C=C(\C)/C(C(C)/C=C/CCC(C(C)C(C(C)C(C(C)C1C(CCC(O1)C(C)C(=O)O)C)O)O)O)O |
Product Overview
Griseochelin (CAS 95673-10-2), with molecular formula C33H60O7 and molecular weight 568.4339 g/mol. IUPAC: 2-[5-methyl-6-[(10E,14E)-3,5,7,13-tetrahydroxy-4,6,12,14,16-pentamethylnonadeca-10,14-dien-2-yl]oxan-2-yl]propanoic acid.