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CRISTATIN-A

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CRISTATIN-A
SpectraBase Compound ID 3U38nBgRVbJ
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-/t19-/m1/s1
InChIKey RERRWNNFPWXUTC-VKINRBECSA-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 21dUI4o4fV5
Name CRISTATIN-A
Compound Number 3
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-/t19-/m1/s1
InChIKey RERRWNNFPWXUTC-VKINRBECSA-N
Literature Reference Author T.ITABASHI,N.MATSUISHI,T.HOSOE,N.TOYAZAKI,S.I.UDAGAWA,T.IMAI ,M.ADACHI,K.I.KAWAI
Literature Reference Citation CHEM.PHARM.BULL.,54,1639(2006)
Literature Reference DOI 10.1248/cpb.54.1639
Molecular Weight 459.632 g/mol
Sample ID 55314
Solvent CDCl3