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#21;(R,R,R)-2-(3-[6-[5-(N-TERT.-BUTOXYCARBONYL-2-METHOXYCARBONYL-METHYLAMINO)-3-IODO-2-METHOXYPHENYL]-INDOL-3-YL]-2-CARBOBENZYLOXYAMINOPROPIONYLAMINO)-2-(3,5-D
SpectraBase Compound ID 2TMhVcV7uZi
InChI InChI=1S/2C47H51Cl2IN4O11/c2*1-46(2,3)64-43(57)37(27-19-32(48)40(61-8)33(49)20-27)53-41(55)35(52-44(58)63-24-25-14-11-10-12-15-25)22-28-23-51-38-29(28)16-13-17-30(38)31-18-26(21-34(50)39(31)60-7)36(42(56)62-9)54-45(59)65-47(4,5)6/h2*10-21,23,35-37,51H,22,24H2,1-9H3,(H,52,58)(H,53,55)(H,54,59)/t2*35-,36+,37-/m00/s1
InChIKey JETVEETYHXXLMQ-ZODVCHPOSA-N
Mol Weight 2091.5 g/mol
Molecular Formula C94H102Cl4I2N8O22
Exact Mass 2088.395218 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cg0LJFRbvnF
Name #21;(R,R,R)-2-(3-[6-[5-(N-TERT.-BUTOXYCARBONYL-2-METHOXYCARBONYL-METHYLAMINO)-3-IODO-2-METHOXYPHENYL]-INDOL-3-YL]-2-CARBOBENZYLOXYAMINOPROPIONYLAMINO)-2-(3,5-D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C94H102Cl4I2N8O22
InChI InChI=1S/2C47H51Cl2IN4O11/c2*1-46(2,3)64-43(57)37(27-19-32(48)40(61-8)33(49)20-27)53-41(55)35(52-44(58)63-24-25-14-11-10-12-15-25)22-28-23-51-38-29(28)16-13-17-30(38)31-18-26(21-34(50)39(31)60-7)36(42(56)62-9)54-45(59)65-47(4,5)6/h2*10-21,23,35-37,51H,22,24H2,1-9H3,(H,52,58)(H,53,55)(H,54,59)/t2*35-,36+,37-/m00/s1
InChIKey JETVEETYHXXLMQ-ZODVCHPOSA-N
Literature Reference Author Y.YAMADA,S.ARIMA,C.OKADA,A.AKIBA,T.KAI,Y.HARIGAYA
Literature Reference Citation CHEM.PHARM.BULL.,54,788(2006)
Literature Reference DOI 10.1248/cpb.54.788
Molecular Weight 2091.505 g/mol
Sample ID 54879
Solvent CDCl3