Chlorohyssopifolin D
[CAS# 54278-79-4]

Identification

• Name: Chlorohyssopifolin D
• Synonyms: [9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] 2-Ethoxy-3-Hydroxy-2-Methyl-Propanoate; 2-Ethoxy-3-Hydroxy-2-Methylpropanoic Acid [9-(Chloromethyl)-8,9-Dihydroxy-3,6-Dimethylene-2-Oxo-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[4,5-B]Furan-4-Yl] Ester; 2-Ethoxy-3-Hydroxy-2-Methyl-Propionic Acid [9-(Chloromethyl)-8,9-Dihydroxy-2-Keto-3,6-Dimethylene-3A,4,5,6A,7,8,9A,9B-Octahydroazuleno[5,4-D]Furan-4-Yl] Ester
• Molecular Formula: C₂₁H₂₉ClO₈
• Molecular Weight: 444.91
• CAS Registry Number: 54278-79-4
• SMILES: C(Cl)C3(O)C2C1OC(=O)C(C1C(OC(=O)C(OCC)(CO)C)CC(C2CC3O)=C)=C
• InChI: 1S/C21H29ClO8/c1-5-28-20(4,9-23)19(26)29-13-6-10(2)12-7-14(24)21(27,8-22)16(12)17-15(13)11(3)18(25)30-17/h12-17,23-24,27H,2-3,5-9H2,1,4H3
• InChIKey: BKGOOGOAAWZTIY-UHFFFAOYSA-N

Properties

• Density: 1.359g/cm³ (Cal.)
• Boiling point: 659.462°C at 760 mmHg (Cal.)
• Flash point: 352.63°C (Cal.)