(3aS-(3aalpha,4alpha,4abeta,6alpha,7beta,9alpha,13bbeta,13cbeta))-1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-9-(Hydroxymethyl)-11-Methoxy-12-Methyl-10,13-Dioxo-4,6-Methano-5H-Benz(h)Oxazolo(3,2-a)Pyrazino(3,2,1-De)(1,5)Naphthyridine-7-Carbonitrile
[CAS# 152053-14-0]

Identification

• Name: (3aS-(3aalpha,4alpha,4abeta,6alpha,7beta,9alpha,13bbeta,13cbeta))-1,2,3a,4,4a,6,7,9,10,13,13b,13c-Dodecahydro-9-(Hydroxymethyl)-11-Methoxy-12-Methyl-10,13-Dioxo-4,6-Methano-5H-Benz(h)Oxazolo(3,2-a)Pyrazino(3,2,1-De)(1,5)Naphthyridine-7-Carbonitrile
• Synonyms: Cyanocycline B
• Molecular Formula: C₂₁H₂₄N₄O₅
• Molecular Weight: 412.44
• CAS Registry Number: 152053-14-0
• SMILES: [C@@H]26C1N[C@@H](C(N4C1C(N3C2OCC3)C5=C(C4CO)C(=O)C(=C(C5=O)C)OC)C#N)C6
• InChI: 1S/C21H24N4O5/c1-8-18(27)14-13(19(28)20(8)29-2)12(7-26)25-11(6-22)10-5-9-15(23-10)17(25)16(14)24-3-4-30-21(9)24/h9-12,15-17,21,23,26H,3-5,7H2,1-2H3/t9-,10-,11?,12?,15?,16?,17?,21?/m1/s1
• InChIKey: UVAIYWZSCCGGSE-KWKRCTCSSA-N