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SARCOTRINE-E
SpectraBase Compound ID BHeAhOIE3cM
InChI InChI=1S/C27H37NO6.Na/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30;/h5,8-9,12,14,18,23,31H,6-7,10-11,13,15-17H2,1-4H3,(H,29,30);/q;+1/p-1/b8-5+,19-9+,20-12-;/t18-,23-;/m1./s1
InChIKey HPSAWHHKSTXKBS-UWGYEKCBSA-M
Mol Weight 493.6 g/mol
Molecular Formula C27H36NNaO6
Exact Mass 493.244032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8z9GWaDQIj4
Name SARCOTRINE-E
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36NNaO6
InChI InChI=1S/C27H37NO6.Na/c1-18(10-6-12-20(3)16-23-25(31)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-14-15-28(26(22)32)17-24(29)30;/h5,8-9,12,14,18,23,31H,6-7,10-11,13,15-17H2,1-4H3,(H,29,30);/q;+1/p-1/b8-5+,19-9+,20-12-;/t18-,23-;/m1./s1
InChIKey HPSAWHHKSTXKBS-UWGYEKCBSA-M
Literature Reference Author Y.LIU,T.A.MANSOOR,J.HONG,C.O.LEE,C.J.SIM,K.S.IM,N.D.KIM,J.H. JUNG
Literature Reference Citation J.NAT.PROD.,66,1451(2003)
Literature Reference DOI 10.1021/np030268e
Molecular Weight 493.576 g/mol
Solvent CD3OD
Source File Reference UWKP3083