chlorothricin
[CAS# 34707-92-1]

Identification

• Name: chlorothricin
• Synonyms: Chlorothricin; Aids024520
• Molecular Formula: C₅₀H₆₃ClO₁₆
• Molecular Weight: 955.49
• CAS Registry Number: 34707-92-1
• SMILES: [C@H]15[C@]6([C@@H](C=C[C@@H]1[C@@H](OC4OC(C(OC3OC(C(O)C(OC(=O)C2=C(OC)C=CC(=C2C)Cl)C3)C)C(O)C4)C)CCC5)CCCC\C=C\[C@H]8[C@@]7(OC(=C(OC6=O)C7=O)O)C[C@H](C(=C8)C(O)=O)C)C
• InChI: 1S/C50H63ClO16/c1-24-23-50-29(20-31(24)45(55)56)13-10-8-7-9-12-28-16-17-30-32(49(28,5)48(59)66-43(44(50)54)47(58)67-50)14-11-15-35(30)63-38-21-34(52)42(27(4)62-38)65-39-22-37(41(53)26(3)61-39)64-46(57)40-25(2)33(51)18-19-36(40)60-6/h10,13,16-20,24,26-30,32,34-35,37-39,41-42,52-53,58H,7-9,11-12,14-15,21-23H2,1-6H3,(H,55,56)/b13-10+/t24-,26?,27?,28-,29-,30+,32-,34?,35+,37?,38?,39?,41?,42?,49-,50+/m1/s1
• InChIKey: YKURYCPWXGAEBG-QGQJXWSFSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 1050.778°C at 760 mmHg (Cal.)
• Flash point: 589.289°C (Cal.)