3-[(2E,4E,6E,8E,10Z,20E)-19-Carbamoyloxy-11,18-Dichloro-13,14,15,17-Tetrahydroxy-6,12-Dimethyltricosa-2,4,6,8,10,20-Hexaenoyl]Oxy-4-Hydroxycyclohexane-1-Carboxylic Acid
[CAS# 142386-37-6]

Identification

• Name: 3-[(2E,4E,6E,8E,10Z,20E)-19-Carbamoyloxy-11,18-Dichloro-13,14,15,17-Tetrahydroxy-6,12-Dimethyltricosa-2,4,6,8,10,20-Hexaenoyl]Oxy-4-Hydroxycyclohexane-1-Carboxylic Acid
• Synonyms: 3-[(2E,4E,6E,8E,10Z,20E)-19-Carbamoyloxy-11,18-Dichloro-13,14,15,17-Tetrahydroxy-6,12-Dimethyl-Tricosa-2,4,6,8,10,20-Hexaenoyl]Oxy-4-Hydroxy-Cyclohexane-1-Carboxylic Acid; 3-[(2E,4E,6E,8E,10Z,20E)-19-Carbamoyloxy-11,18-Dichloro-13,14,15,17-Tetrahydroxy-6,12-Dimethyl-1-Oxotricosa-2,4,6,8,10,20-Hexaenoxy]-4-Hydroxy-1-Cyclohexanecarboxylic Acid; 3-[(2E,4E,6E,8E,10Z,20E)-19-Aminocarbonyloxy-11,18-Dichloro-13,14,15,17-Tetrahydroxy-6,12-Dimethyl-Tricosa-2,4,6,8,10,20-Hexaenoyl]Oxy-4-Hydroxy-Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₃₃H₄₇Cl₂NO₁₁
• Molecular Weight: 704.64
• CAS Registry Number: 142386-37-6
• SMILES: C(C(C(C(C(/C(=C/C=C/C=C(/C=C/C=C/C(OC1CC(CCC1O)C(=O)O)=O)C)Cl)C)O)O)O)C(C(C(\C=C\CC)OC(=O)N)Cl)O
• InChI: 1S/C33H47Cl2NO11/c1-4-5-13-26(47-33(36)45)29(35)24(38)18-25(39)31(42)30(41)20(3)22(34)12-8-6-10-19(2)11-7-9-14-28(40)46-27-17-21(32(43)44)15-16-23(27)37/h5-14,20-21,23-27,29-31,37-39,41-42H,4,15-18H2,1-3H3,(H2,36,45)(H,43,44)/b8-6+,11-7+,13-5+,14-9+,19-10+,22-12-
• InChIKey: VSFNDCKKSCIXNV-PHMKDSOOSA-N

Properties

• Density: 1.34g/cm³ (Cal.)
• Boiling point: 939.319°C at 760 mmHg (Cal.)
• Flash point: 521.882°C (Cal.)