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TRANS-ACREMOLIDE_C;MAJOR_CONFORMER
SpectraBase Compound ID CRMnnmqYvU7
InChI InChI=1S/C25H44N2O6/c1-6-15(2)22-24(31)27-13-9-12-19(27)25(32)33-21(14-20(29)18(5)23(30)26-22)16(3)10-7-8-11-17(4)28/h15-22,28-29H,6-14H2,1-5H3,(H,26,30)/t15-,16?,17?,18?,19-,20?,21?,22+/m0/s1
InChIKey QOCRZHBXYGQZJC-FZIUKITISA-N
Mol Weight 468.6 g/mol
Molecular Formula C25H44N2O6
Exact Mass 468.319937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HfIvTqjHc0B
Name CIS-ACREMOLIDE_C;MINOR_CONFORMER
Compound Number 6A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H44N2O6
InChI InChI=1S/C25H44N2O6/c1-6-15(2)22-24(31)27-13-9-12-19(27)25(32)33-21(14-20(29)18(5)23(30)26-22)16(3)10-7-8-11-17(4)28/h15-22,28-29H,6-14H2,1-5H3,(H,26,30)/t15-,16?,17?,18?,19-,20?,21?,22+/m0/s1
InChIKey QOCRZHBXYGQZJC-FZIUKITISA-N
Literature Reference Author R.RATNAYAKE,L.J.FREMLIN,E.LACEY,J.H.GILL,R.J.CAPON
Literature Reference Citation J.NAT.PROD.,71,403(2008)
Literature Reference DOI 10.1021/np070589g
Molecular Weight 468.634 g/mol
Sample ID 27383
Solvent DMSO-D6