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CRISTATIN-A;CYCLOALANYL-6,7-DISIOPENTENYL-2-(1',1'-DIMETHYLALLYL-8-(Z)-ENE-TRYPTOPHAN)
SpectraBase Compound ID BIIMQ3MDR0d
InChI InChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-13-20(12-10-17(2)3)21(25(22)32-26)14-11-18(4)5/h9-11,13,15-16,19,32H,1,12,14H2,2-8H3,(H,30,34)(H,31,33)/b24-16-
InChIKey RERRWNNFPWXUTC-JLPGSUDCSA-N
Mol Weight 459.6 g/mol
Molecular Formula C29H37N3O2
Exact Mass 459.288577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D74TLekLFC
Name CRISTATIN-A;CYCLOALANYL-6,7-DISIOPENTENYL-2-(1',1'-DIMETHYLALLYL-8-(Z)-ENE-TRYPTOPHAN)
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H37N3O2
InChI InChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-13-20(12-10-17(2)3)21(25(22)32-26)14-11-18(4)5/h9-11,13,15-16,19,32H,1,12,14H2,2-8H3,(H,30,34)(H,31,33)/b24-16-
InChIKey RERRWNNFPWXUTC-JLPGSUDCSA-N
Literature Reference Author V.RAVIKANTH,V.L.N.REDDY,P.RAMESH,T.P.RAO,P.V.DIWAN,A.KHAR,Y. VENKATESWARLU
Literature Reference Citation PHYTOCHEM.,58,1263(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00383-1
Molecular Weight 459.632 g/mol
Solvent CDCl3
Source File Reference UWLU3169