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TRANS-ACREMOLIDE_A;MINOR_CONFORMER
SpectraBase Compound ID 2gEOVD8vjIE
InChI InChI=1S/C28H42N2O6/c1-18(10-7-8-11-19(2)31)25-17-24(32)20(3)26(33)29-22(16-21-12-5-4-6-13-21)27(34)30-15-9-14-23(30)28(35)36-25/h4-6,12-13,18-20,22-25,31-32H,7-11,14-17H2,1-3H3,(H,29,33)/t18?,19?,20?,22-,23+,24?,25?/m1/s1
InChIKey MKOPZQIQZWBFOD-ZISSWXNUSA-N
Mol Weight 502.7 g/mol
Molecular Formula C28H42N2O6
Exact Mass 502.304287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jj6Nuy6uWb2
Name CIS-ACREMOLIDE_A;MAJOR_CONFORMER
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H42N2O6
InChI InChI=1S/C28H42N2O6/c1-18(10-7-8-11-19(2)31)25-17-24(32)20(3)26(33)29-22(16-21-12-5-4-6-13-21)27(34)30-15-9-14-23(30)28(35)36-25/h4-6,12-13,18-20,22-25,31-32H,7-11,14-17H2,1-3H3,(H,29,33)/t18?,19?,20?,22-,23+,24?,25?/m1/s1
InChIKey MKOPZQIQZWBFOD-ZISSWXNUSA-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 502.651 g/mol
Sample ID 27378
Solvent DMSO-D6