Deoxylimonol
[CAS# 83991-64-4]

Identification

• Name: Deoxylimonol
• Synonyms: Deoxylimonol; Limonoic Acid, 14,15-Deepoxy-14,15-Didehydro-7-Deoxo-7-Hydroxy-, 3,19:16,17-Dilactone, (7Alpha)-
• Molecular Formula: C₂₆H₃₂O₇
• Molecular Weight: 456.53
• CAS Registry Number: 83991-64-4
• SMILES: [C@@H]35C12[C@H](C(O[C@H]1CC(OC2)=O)(C)C)C[C@@H](O)[C@]3(C4=CC(O[C@H]([C@@]4(CC5)C)C6=COC=C6)=O)C
• InChI: 1S/C26H32O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,18-19,22,27H,5,7,9,11,13H2,1-4H3/t15-,16-,18+,19-,22-,24+,25+,26?/m0/s1
• InChIKey: VNNZUOXOSGRYOD-PAAQMEKRSA-N

Properties

• Density: 1.326g/cm³ (Cal.)
• Boiling point: 661.706°C at 760 mmHg (Cal.)
• Flash point: 353.987°C (Cal.)