(9S-(9alpha,10beta,12alpha))-5,16-bis((ethylthio)methyl)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid methyl ester
[CAS# 156177-65-0]

Identification

• Name: (9S-(9alpha,10beta,12alpha))-5,16-bis((ethylthio)methyl)-2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-1-oxo-9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocine-10-carboxylic acid methyl ester
• Synonyms: 3,9-Bis(Etsm)-K-252A; 9,12-Epoxy-1H-Diindolo(1,2,3-Fg:3',2',1'-Kl)Pyrrolo(3,4-I)(1,6)Benzodiazocine-10-Carboxylic Acid, 5,16-Bis((Ethylthio)Methyl)-2,3,9,10,11,12-Hexahydro-10-Hydroxy-9-Methyl-1-Oxo-, Methyl Ester, (9S-(9Alpha,10Beta,12Alpha))-; Cep 1347
• Molecular Formula: C₃₃H₃₃N₃O₅S₂
• Molecular Weight: 615.76
• CAS Registry Number: 156177-65-0
• SMILES: [N]13[C@@]8([C@H](C[C@@H]([N]6C2=C(C5=C(C(=C12)C4=C3C=CC(=C4)CSCC)CNC5=O)C7=C6C=CC(=C7)CSCC)O8)C(=O)OOC)C
• InChI: 1S/C33H33N3O5S2/c1-5-42-15-17-7-9-23-19(11-17)27-28-21(14-34-31(28)37)26-20-12-18(16-43-6-2)8-10-24(20)36-30(26)29(27)35(23)25-13-22(32(38)41-39-4)33(36,3)40-25/h7-12,22,25H,5-6,13-16H2,1-4H3,(H,34,37)/t22-,25+,33+/m1/s1
• InChIKey: WMBUVOLZSWTKMP-KQFGJPIXSA-N

Properties

• Density: 1.517g/cm³ (Cal.)