(1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-2,8,13,18-Tetrakis(Carboxymethyl)-7,8,11,12-Tetradehydro-9,10,11,22-Tetrahydro-3,9,13,18,19-Pentamethyl-3,7,12,17-Corrintetrapropanoic Acid
[CAS# 139663-55-1]

Identification

• Name: (1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-2,8,13,18-Tetrakis(Carboxymethyl)-7,8,11,12-Tetradehydro-9,10,11,22-Tetrahydro-3,9,13,18,19-Pentamethyl-3,7,12,17-Corrintetrapropanoic Acid
• Synonyms: Cpd-679; Precorrin-6Y
• Molecular Formula: C₄₄H₅₆N₄O₁₆
• Molecular Weight: 896.94
• CAS Registry Number: 139663-55-1
• SMILES: C(C5(C2(NC(=C\C1=NC(=C(C1(CC(O)=O)C)CCC(O)=O)CC4(N=C(/C=C/3NC2C(C3(CCC(O)=O)C)CC(O)=O)C(=C4CC(O)=O)CCC(O)=O)C)/C5CCC(O)=O)C)C)C(O)=O
• InChI: 1S/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h16-17,23,25,39,46,48H,6-15,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-,29-16-
• InChIKey: UZVGLSZJXWVSGT-PBOPUUKSSA-N

Properties

• Density: 1.512g/cm³ (Cal.)
• Boiling point: 1169.285°C at 760 mmHg (Cal.)
• Flash point: 660.96°C (Cal.)