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Cladocoran A Methyl Ester
SpectraBase Compound ID ErLmOyZX7Mp
InChI InChI=1S/C29H44O5/c1-19(2)10-8-14-28(5)15-9-11-24-23(28)13-12-20(3)29(24,6)17-25(34-21(4)30)22(26-18-33-26)16-27(31)32-7/h11,16,20,23,25-26H,1,8-10,12-15,17-18H2,2-7H3/b22-16-/t20-,23+,25-,26?,28+,29+/m1/s1
InChIKey BULFLYNTUQDTCY-MMCREVDLSA-N
Mol Weight 472.7 g/mol
Molecular Formula C29H44O5
Exact Mass 472.318875 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LCngyMbzUe
Name CLADOCORAN-A-METHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O5
InChI InChI=1S/C29H44O5/c1-19(2)10-8-14-28(5)15-9-11-24-23(28)13-12-20(3)29(24,6)17-25(34-21(4)30)22(26-18-33-26)16-27(31)32-7/h11,16,20,23,25-26H,1,8-10,12-15,17-18H2,2-7H3/b22-16-/t20-,23+,25-,26?,28+,29+/m1/s1
InChIKey BULFLYNTUQDTCY-MMCREVDLSA-N
Literature Reference Author A.FONTANA,M.L.CIAVATTA,G.CIMINO
Literature Reference Citation J.ORG.CHEM.,63,2845(1998)
Literature Reference DOI 10.1021/jo971586j
Molecular Weight 472.665 g/mol
Sample ID 37073
Solvent CDCl3