(2R-(2alpha,3beta,3aalpha,5beta,6alpha,8beta,12balpha,12calpha))-2,3,3a,5,6,8,9,12,12b,12c-Decahydro-1-(2-Hydroxyethyl)-8-(Hydroxymethyl)-10-Methoxy-4,11-Dimethyl-9,12-Dioxo-3,5-Methano-1H,4H-Benzo(c)Pyrazino(3,2,1-ij)(1,5)Naphthyridine-2,6-Dicarbonitrile
[CAS# 152104-53-5]

Identification

• Name: (2R-(2alpha,3beta,3aalpha,5beta,6alpha,8beta,12balpha,12calpha))-2,3,3a,5,6,8,9,12,12b,12c-Decahydro-1-(2-Hydroxyethyl)-8-(Hydroxymethyl)-10-Methoxy-4,11-Dimethyl-9,12-Dioxo-3,5-Methano-1H,4H-Benzo(c)Pyrazino(3,2,1-ij)(1,5)Naphthyridine-2,6-Dicarbonitrile
• Synonyms: Cyanocycline D
• Molecular Formula: C₂₃H₂₇N₅O₅
• Molecular Weight: 453.50
• CAS Registry Number: 152104-53-5
• SMILES: [C@@H]25C1N([C@@H](C(N3C1C(N(C2C#N)CCO)C4=C(C3CO)C(=O)C(=C(C4=O)C)OC)C#N)C5)C
• InChI: 1S/C23H27N5O5/c1-10-21(31)17-16(22(32)23(10)33-3)15(9-30)28-14(8-25)12-6-11-13(7-24)27(4-5-29)19(17)20(28)18(11)26(12)2/h11-15,18-20,29-30H,4-6,9H2,1-3H3/t11-,12+,13?,14?,15?,18?,19?,20?/m0/s1
• InChIKey: WTMKTMCADOSNBQ-FMDZXFMMSA-N