Ignavine
[CAS# 1357-76-2]

Identification

• Name: Ignavine
• Synonyms: Hetisan-2,13,9,15-Tetrol, 2-Benzoate, (2-Alpha,3-Beta,15-Beta)-; Ignavine
• Molecular Formula: C₂₇H₃₁NO₅
• Molecular Weight: 449.55
• CAS Registry Number: 1357-76-2
• SMILES: [C@]23(O)C15C[C@H]([C@@H]([C@@]7([C@H]1[C@H]6CC24[C@@H](C([C@H](C3)CC4C5N6C7)=C)O)C)O)OC(C8=CC=CC=C8)=O
• InChI: 1S/C27H31NO5/c1-13-15-8-16-20-26-11-18(33-23(31)14-6-4-3-5-7-14)22(30)24(2)12-28(20)17(19(24)26)10-25(16,21(13)29)27(26,32)9-15/h3-7,15-22,29-30,32H,1,8-12H2,2H3/t15-,16?,17+,18+,19+,20?,21+,22-,24-,25?,26?,27-/m0/s1
• InChIKey: FOIZZXKAYVIZQC-HBFXMWHYSA-N