15,23-Dihydrosirohydrochlorin
[CAS# 82542-92-5]

Identification

• Name: 15,23-Dihydrosirohydrochlorin
• Synonyms: Precorrin 2
• Molecular Formula: C₄₂H₄₈N₄O₁₆
• Molecular Weight: 864.86
• CAS Registry Number: 82542-92-5
• SMILES: [C@]\3([C@@H](\C4=C\C5=NC(=C\C1=C(C(=C([NH]1)CC2=C(C(=C([NH]2)/C=C3N4)CC(O)=O)CCC(O)=O)CCC(O)=O)CC(O)=O)/[C@H]([C@@]5(CC(O)=O)C)CCC(O)=O)CCC(O)=O)(CC(O)=O)C
• InChI: 1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-44,46H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b29-14-,30-16-,31-15-/t23-,24-,41+,42+/m1/s1
• InChIKey: CSWLXNNNLVVXKD-ZIBVGKFXSA-N

Properties

• Density: 1.579g/cm³ (Cal.)
• Boiling point: 1243.545°C at 760 mmHg (Cal.)
• Flash point: 705.871°C (Cal.)