(13Z)-5,6,7,11-Tetrahydroxy-3-[(E)-3-Hydroxyprop-2-Enyl]-4,7,9,13,14-Pentamethyl-1-Oxacyclotetradec-13-Ene-2,10-Dione
[CAS# 136440-72-7]

Identification

• Name: (13Z)-5,6,7,11-Tetrahydroxy-3-[(E)-3-Hydroxyprop-2-Enyl]-4,7,9,13,14-Pentamethyl-1-Oxacyclotetradec-13-Ene-2,10-Dione
• Synonyms: (13Z)-5,6,7,11-Tetrahydroxy-3-[(E)-3-Hydroxyprop-2-Enyl]-4,7,9,13,14-Pentamethyl-1-Oxacyclotetradec-13-Ene-2,10-Quinone; Paciforgine; Oxacyclotetradec-13-Ene-2,10-Dione, 5,6,7,11-Tetrahydroxy-3-(3-Hydroxy-2-Propenyl)-4,7,9,13,14-Pentamethyl-
• Molecular Formula: C₂₁H₃₄O₈
• Molecular Weight: 414.49
• CAS Registry Number: 136440-72-7
• SMILES: C(C1C(C(C(C(CC(C(=O)C(CC(=C(OC1=O)/C)/C)O)C)(C)O)O)O)C)\C=C\O
• InChI: 1S/C21H34O8/c1-11-9-16(23)17(24)12(2)10-21(5,28)19(26)18(25)13(3)15(7-6-8-22)20(27)29-14(11)4/h6,8,12-13,15-16,18-19,22-23,25-26,28H,7,9-10H2,1-5H3/b8-6+,14-11-
• InChIKey: XJGKKCBILDDTEC-SQKGQWCESA-N

Properties

• Density: 1.173g/cm³ (Cal.)
• Boiling point: 616.513°C at 760 mmHg (Cal.)
• Flash point: 208.591°C (Cal.)