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#25;(R,R,R)-2-(3-[6-[5-(N-TERT.-BUTOXYCARBONYL-2-METHOXYCARBONYLMETHYLAMINO)-3-IODO-2-METHOXYPHENYL]-INDOL-3-YL]-2-CARBOBENZYLOXYAMINOPROPIONYLAMINO)-2-(3,5-DI
SpectraBase Compound ID 2IfBgu5zzrF
InChI InChI=1S/2C47H51Cl2IN4O11/c2*1-46(2,3)64-43(57)38(28-18-32(48)40(61-8)33(49)19-28)53-41(55)36(52-44(58)63-24-25-13-11-10-12-14-25)22-29-23-51-35-21-26(15-16-30(29)35)31-17-27(20-34(50)39(31)60-7)37(42(56)62-9)54-45(59)65-47(4,5)6/h2*10-21,23,36-38,51H,22,24H2,1-9H3,(H,52,58)(H,53,55)(H,54,59)/t2*36-,37-,38-/m11/s1
InChIKey HVGRIYRSHUBWEE-OXJRCKRMSA-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 GgmSiiLBYvZ
Name #25;(R,R,R)-2-(3-[6-[5-(N-TERT.-BUTOXYCARBONYL-2-METHOXYCARBONYLMETHYLAMINO)-3-IODO-2-METHOXYPHENYL]-INDOL-3-YL]-2-CARBOBENZYLOXYAMINOPROPIONYLAMINO)-2-(3,5-DI
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)38(28-18-32(48)40(61-8)33(49)19-28)53-41(55)36(52-44(58)63-24-25-13-11-10-12-14-25)22-29-23-51-35-21-26(15-16-30(29)35)31-17-27(20-34(50)39(31)60-7)37(42(56)62-9)54-45(59)65-47(4,5)6/h2*10-21,23,36-38,51H,22,24H2,1-9H3,(H,52,58)(H,53,55)(H,54,59)/t2*36-,37-,38-/m11/s1
InChIKey HVGRIYRSHUBWEE-OXJRCKRMSA-N
Literature Reference Author Y.YAMADA,A.AKIBA,S.ARIMA,C.OKADA,K.YOSHIDA,F.ITOU,T.KAI,T.SA TOU,K.TAKEDA,Y.HARIG
Literature Reference Citation CHEM.PHARM.BULL.,53,1277(2005)
Literature Reference DOI 10.1248/cpb.53.1277
Molecular Weight 2091.505 g/mol
Sample ID 33334
Solvent CDCl3