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Cylindrol A3

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Cylindrol A3
SpectraBase Compound ID JvGLFOK8obx
InChI InChI=1S/C28H40O6/c1-16(2)12-26(32)34-25(14-28(7)19(5)9-11-23(30)20(28)6)17(3)8-10-21-24(31)13-18(4)22(15-29)27(21)33/h8,13,15-16,19-20,25,31,33H,9-12,14H2,1-7H3/b17-8+/t19-,20+,25+,28+/m0/s1
InChIKey DIYZHFWGNBYBAL-SVAMLUJCSA-N
Mol Weight 472.6 g/mol
Molecular Formula C28H40O6
Exact Mass 472.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3vV9rvIOJjt
Name CYLINDROL-A3
Compound Number 1D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O6
InChI InChI=1S/C28H40O6/c1-16(2)12-26(32)34-25(14-28(7)19(5)9-11-23(30)20(28)6)17(3)8-10-21-24(31)13-18(4)22(15-29)27(21)33/h8,13,15-16,19-20,25,31,33H,9-12,14H2,1-7H3/b17-8+/t19-,20+,25+,28+/m0/s1
InChIKey DIYZHFWGNBYBAL-SVAMLUJCSA-N
Literature Reference Author S.B.SINGH,R.G.BALL,G.F.BILLS,C.CASCALES,J.B.GIBBS,M.A.GOETZ, K.HOOGSTEEN,R.G.JENK
Literature Reference Citation J.ORG.CHEM.,61,7727(1996)
Literature Reference DOI 10.1021/jo961074p
Molecular Weight 472.622 g/mol
Solvent CDCl3
Source File Reference WANG1777