Methyl 4-acetoxy-15-[16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^3,11.0^4,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate 2,3-dihydroxysuccinate (1:2)
[CAS# 194468-36-5]

Identification

• Name: Methyl 4-acetoxy-15-[16-(1,1-difluoroethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^3,11.0^4,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate 2,3-dihydroxysuccinate (1:2)
• Synonyms: 2,3-Dihydroxybernsteinsäure -methyl-4-acetoxy-15-[16-(1,1-difluorethyl)-12-(methoxycarbonyl)-1,10-diazatetracyclo[12.3.1.0^3,11.0^4,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3-hydroxy-16-methoxy-1-methy l-6,7-didehydroaspidospermidin-3-carboxylat (2:1); Acide 2,3-dihydroxysuccinique - 4-acétoxy-15-[16-(1,1-difluoroéthyl)-12-(méthoxycarbonyl)-1,10-diazatétracyclo[12.3.1.0^3,11.0^4,9]octadéca-3(11),4,6,8-tétraén-12-yl]-3-hydroxy-16-méthoxy-1-méthyl-6 ,7-didéhydroaspidospermidine-3-carboxylate de méthyle (2:1); Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-[4-(1,1-difluoroethyl)-1,3,4,5,6,7,8,9-octahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino[4,3-b]indol-8-yl]-3-hydroxy-16-methoxy-1- methyl-, methyl ester, 2,3-dihydroxybutanedioate (1:2) (salt)
• Molecular Formula: C₅₃H₆₆F₂N₄O₂₀
• Molecular Weight: 1117.10
• CAS Registry Number: 194468-36-5
• SMILES: CCC12C=CCN3C1C4(CC3)c5cc(c(cc5N(C4C(C2OC(=O)C)(C(=O)OC)O)C)OC)C6(CC7CC(CN(C7)Cc8c6[nH]c9c8cccc9)C(C)(F)F)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O
• InChI: 1S/C45H54F2N4O8.2C4H6O6/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44;2*5-1(3(7)8)2(6)4(9)10/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3;2*1-2,5-6H,(H,7,8)(H,9,10)
• InChIKey: YIHUEPHBPPAAHH-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)