12'-Hydroxyisostrychnobiline
[CAS# 71610-50-9]

Identification

• Name: 12'-Hydroxyisostrychnobiline
• Synonyms: 12'-Hydroxystrychnobiline; Isostrychnobiline, 12'-Hydroxy-; Nsc325311
• Molecular Formula: C₄₀H₄₆N₄O₃
• Molecular Weight: 630.83
• CAS Registry Number: 71610-50-9
• SMILES: C1=CC=C(C2=C1C35C(N2C(C)=O)C(C4\C(=C\C)CN(C3C4)CC5)C7N%10C6C9(C8N(CC(/C(C6CO7)C8)=C\C)CC9)C%11=C%10C=CC=C%11)O
• InChI: 1S/C40H46N4O3/c1-4-23-19-41-15-13-39-28-9-6-7-11-30(28)44-36(39)27(25(23)17-32(39)41)21-47-38(44)34-26-18-33-40(14-16-42(33)20-24(26)5-2)29-10-8-12-31(46)35(29)43(22(3)45)37(34)40/h4-12,25-27,32-34,36-38,46H,13-21H2,1-3H3/b23-4+,24-5+
• InChIKey: YQRWCHPSAPRFOS-LHYODZITSA-N

Properties

• Density: 1.399g/cm³ (Cal.)