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#32A;(R,R,R)-3-[6-(5-[1-[2-(3,5-DICHLORO-4-METHOXYPHENYL)-2-TERT.-BUTOXYCARBONYLAMINO-ACETYLAMINO]-1-METHOXYCARBONYLMETHYL]-3-IODO-2-METHOXYPHENYL)-INDOL-3-YL]
SpectraBase Compound ID 4Uq3ura1C1W
InChI InChI=1S/C47H51Cl2IN4O11/c1-46(2,3)64-42(56)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)38(43(57)62-9)53-41(55)37(54-45(59)65-47(4,5)6)28-18-32(48)40(61-8)33(49)19-28/h10-21,23,36-38,51H,22,24H2,1-9H3,(H,52,58)(H,53,55)(H,54,59)/t36-,37-,38+/m1/s1
InChIKey LVXSRAFTUMMAKL-IZNNDHRXSA-N
Mol Weight 1045.8 g/mol
Molecular Formula C47H51Cl2IN4O11
Exact Mass 1044.197609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9F8vkZkSiGg
Name #32A;(R,R,R)-3-[6-(5-[1-[2-(3,5-DICHLORO-4-METHOXYPHENYL)-2-TERT.-BUTOXYCARBONYLAMINO-ACETYLAMINO]-1-METHOXYCARBONYLMETHYL]-3-IODO-2-METHOXYPHENYL)-INDOL-3-YL]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H51Cl2IN4O11
InChI InChI=1S/C47H51Cl2IN4O11/c1-46(2,3)64-42(56)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)38(43(57)62-9)53-41(55)37(54-45(59)65-47(4,5)6)28-18-32(48)40(61-8)33(49)19-28/h10-21,23,36-38,51H,22,24H2,1-9H3,(H,52,58)(H,53,55)(H,54,59)/t36-,37-,38+/m1/s1
InChIKey LVXSRAFTUMMAKL-IZNNDHRXSA-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 1045.753 g/mol
Sample ID 33339
Solvent CDCl3