(12xi)-13,19-Didehydro-15,20-dihydro-8,12-dihydroxy-4-methyl-11,16-dioxosenecionan-4-ium
[CAS# 36506-81-7]

Identification

• Name: (12xi)-13,19-Didehydro-15,20-dihydro-8,12-dihydroxy-4-methyl-11,16-dioxosenecionan-4-ium
• Molecular Formula: C₁₉H₂₈NO₆
• Molecular Weight: 366.43
• CAS Registry Number: 36506-81-7
• SMILES: [C@H]13OC(=O)C(CC(C(O)(C(OCC2=CC[N+](C12O)(CC3)C)=O)C)=C)CC
• InChI: 1S/C19H28NO6/c1-5-13-10-12(2)18(3,23)17(22)25-11-14-6-8-20(4)9-7-15(19(14,20)24)26-16(13)21/h6,13,15,23-24H,2,5,7-11H2,1,3-4H3/q+1/t13?,15-,18?,19?,20?/m1/s1
• InChIKey: NJNQFHVIXUJHSN-FBHNOXKOSA-N