(7E,12E,16Z,22Z,24Z,26E)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0^5,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone
[CAS# 76045-67-5]

Identification

• Name: (7E,12E,16Z,22Z,24Z,26E)-4,10,14,20,34-Pentahydroxy-3,7,9,11,17,21-hexamethyl-29-azatricyclo[28.3.1.0^5,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30(34)-decaene-6,18,28,31,32-pentone
• Synonyms: Mycotrienine derivative; MYCOTRIENINE-LIKE; NSC381101
• Molecular Formula: C₃₉H₄₅NO₁₀
• Molecular Weight: 687.78
• CAS Registry Number: 76045-67-5
• SMILES: O=C1c2c3C(/O)=C(\C1=O)NC(=O)\C=C\C=C/C=C\C(C)C(O)CC(=O)\C(=C/CC(O)/C=C/C(C)C(O)C(\C=C(\C(=O)c2c(O)c(c3)C)C)C)C
• InChI: 1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47-48H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9-,12-10+,16-14+,21-13-,24-17+
• InChIKey: VMGZUMXAOXKLLT-WHCRUQAMSA-N

Properties

• Density: 1.323g/cm³ (Cal.)
• Boiling point: 983.52°C at 760 mmHg (Cal.)
• Flash point: 548.613°C (Cal.)