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18R-ACETOXY-20-HYDROXY-2,10,19(21)-CLADOCORATRIEN-22(20)-OLIDE;MAJOR-ISOMER
SpectraBase Compound ID 1IbBJ11q0mZ
InChI InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21+,23-,25?,26+,27+/m1/s1
InChIKey LUZPPGGVQBQOEH-GNAIDZQBSA-N
Mol Weight 444.6 g/mol
Molecular Formula C27H40O5
Exact Mass 444.287574 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qz6RuUXyW5
Name CLADOCORAN-A
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O5
InChI InChI=1S/C27H40O5/c1-17(2)9-7-13-26(5)14-8-10-22-21(26)12-11-18(3)27(22,6)16-23(31-19(4)28)20-15-24(29)32-25(20)30/h10,15,18,21,23,25,30H,1,7-9,11-14,16H2,2-6H3/t18-,21+,23-,25?,26+,27+/m1/s1
InChIKey LUZPPGGVQBQOEH-GNAIDZQBSA-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 444.612 g/mol
Sample ID 37074
Solvent CDCl3