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SECOSUBAMOLIDE-A
SpectraBase Compound ID 4PzFH8gHkUg
InChI InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26-3)21(24)19(2)23/h18,21,24H,4-17H2,1-3H3/b20-18+/t21-/m1/s1
InChIKey GLIPXQAGIQSPTQ-BIZYMNTOSA-N
Mol Weight 368.6 g/mol
Molecular Formula C22H40O4
Exact Mass 368.29266 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWbPh6rVjtw
Name SECOSUBAMOLIDE-A;METHYL-[(2E)-2-[(1S)-1-HYDROXY-2-OXOPROPYL]-OCTA-DEC-2-ENOATE]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40O4
InChI InChI=1S/C22H40O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22(25)26-3)21(24)19(2)23/h18,21,24H,4-17H2,1-3H3/b20-18+/t21-/m1/s1
InChIKey GLIPXQAGIQSPTQ-BIZYMNTOSA-N
Literature Reference Author S.Y.KUO,T.J.HSIEH,Y.D.WANG,W.L.LO,Y.R.HSUI,C.Y.CHEN
Literature Reference Citation CHEM.PHARM.BULL.,56,97(2008)
Literature Reference DOI 10.1248/cpb.56.97
Molecular Weight 368.557 g/mol
Sample ID 1221
Solvent CDCl3