Gliocladic acid
(E)-2-(hydroxymethyl)-3-[(1S,6S)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid
Also Known As: Gliocladic acid|(E)-2-(hydroxymethyl)-3-[(1S,6S)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid|(2E)-2-(hydroxymethyl)-3-[(1S,6S)-3-(hydroxymethyl)-6-(propan-2-yl)cyclohex-2-en-1-yl]prop-2-enoic acid|(E)-2-Hydroxymethyl-3-[3-(hydroxymethyl)-6beta-(1-methylethyl)-2-cyclohexen-1alpha-yl]propenoic acid|2-Propenoic acid, 2-(hydroxymethyl)-3-(3-(hydroxymethyl)-6-(1-methylethyl)-2-cyclohexen-1-yl)-, (1alpha(E),6beta)-
| Molecular Formula | C14H22O4 |
|---|---|
| Molecular Weight | 254.15181 g/mol |
| LogP | 1.5906 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.15181 |
| Monoisotopic Mass | 254.15181 |
| Heavy Atoms | 18 |
| Complexity | 354.80548 |
Chemical Identifiers
| CAS Number | 82425-48-7 |
|---|---|
| SMILES | CC(C)[C@@H]1CCC(=C[C@H]1/C=C(\CO)/C(=O)O)CO |
Product Overview
Gliocladic acid (CAS 82425-48-7), with molecular formula C14H22O4 and molecular weight 254.15181 g/mol. IUPAC: (E)-2-(hydroxymethyl)-3-[(1S,6S)-3-(hydroxymethyl)-6-propan-2-ylcyclohex-2-en-1-yl]prop-2-enoic acid.