Gliocladic Acid
[CAS# 82425-48-7]

Identification

• Name: Gliocladic Acid
• Synonyms: (E)-2-(Hydroxymethyl)-3-[(1S,6S)-3-(Hydroxymethyl)-6-Isopropyl-1-Cyclohex-2-Enyl]Prop-2-Enoic Acid; (E)-3-[(1S,6S)-6-Isopropyl-3-Methylol-1-Cyclohex-2-Enyl]-2-Methylol-Acrylic Acid; 2-Propenoic Acid, 2-(Hydroxymethyl)-3-(3-(Hydroxymethyl)-6-(1-Methylethyl)-2-Cyclohexen-1-Yl)-, (1Alpha(E),6Beta)-
• Molecular Formula: C₁₄H₂₂O₄
• Molecular Weight: 254.33
• CAS Registry Number: 82425-48-7
• SMILES: [C@@H]1([C@@H](CCC(=C1)CO)C(C)C)\C=C(C(=O)O)/CO
• InChI: 1S/C14H22O4/c1-9(2)13-4-3-10(7-15)5-11(13)6-12(8-16)14(17)18/h5-6,9,11,13,15-16H,3-4,7-8H2,1-2H3,(H,17,18)/b12-6+/t11-,13-/m0/s1
• InChIKey: SLVSUVFUFJKMCV-MZGZCWAVSA-N

Properties

• Density: 1.195g/cm³ (Cal.)
• Boiling point: 461.739°C at 760 mmHg (Cal.)
• Flash point: 247.172°C (Cal.)