(2S-(2R*(R*),5R*))-9-(1,1-Dimethyl-2-Propenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylpropyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
[CAS# 138590-60-0]

Identification

• Name: (2S-(2R*(R*),5R*))-9-(1,1-Dimethyl-2-Propenyl)-1,2,4,5,6,8-Hexahydro-5-(Hydroxymethyl)-1-Methyl-2-(1-Methylpropyl)-3H-Pyrrolo(4,3,2-gh)-1,4-Benzodiazonin-3-One
• Synonyms: Methylpendolmycin
• Molecular Formula: C₂₃H₃₃N₃O₂
• Molecular Weight: 383.53
• CAS Registry Number: 138590-60-0
• SMILES: [C@@H]3(NC(=O)C(N(C1=CC=C(C2=C1C(=C[NH]2)C3)C(C=C)(C)C)C)C(CC)C)CO
• InChI: 1S/C23H33N3O2/c1-7-14(3)21-22(28)25-16(13-27)11-15-12-24-20-17(23(4,5)8-2)9-10-18(19(15)20)26(21)6/h8-10,12,14,16,21,24,27H,2,7,11,13H2,1,3-6H3,(H,25,28)/t14?,16-,21?/m0/s1
• InChIKey: DALRIICDQKRRFF-PKAMJGAUSA-N