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(1Z,3E,7E,11S,12R,13S,14R)-13,14-DIACETOXY-11,12-EPOXY-CEMBRA-1,3,7-TRIENE;FLACCIDOXIDE-13-ACETATE
SpectraBase Compound ID GkunA7eAuCN
InChI InChI=1S/C24H36O5/c1-15(2)20-13-11-16(3)9-8-10-17(4)12-14-21-24(7,29-21)23(28-19(6)26)22(20)27-18(5)25/h10-11,13,15,21-23H,8-9,12,14H2,1-7H3/b16-11-,17-10+,20-13+/t21?,22-,23+,24-/m1/s1
InChIKey SLZFGKPBZNIZNQ-OBGPTWECSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MXBq7kU0q3
Name (1Z,3E,7E,11S,12R,13S,14R)-13,14-DIACETOXY-11,12-EPOXY-CEMBRA-1,3,7-TRIENE;FLACCIDOXIDE-13-ACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/c1-15(2)20-13-11-16(3)9-8-10-17(4)12-14-21-24(7,29-21)23(28-19(6)26)22(20)27-18(5)25/h10-11,13,15,21-23H,8-9,12,14H2,1-7H3/b16-11-,17-10+,20-13+/t21?,22-,23+,24-/m1/s1
InChIKey SLZFGKPBZNIZNQ-OBGPTWECSA-N
Literature Reference Author C.A.GRAY,M.T.DAVIES-COLEMAN,M.H.SCHLEYER
Literature Reference Citation J.NAT.PROD.,63,1551(2000)
Literature Reference DOI 10.1021/np000179r
Molecular Weight 404.547 g/mol
Solvent CDCl3
Source File Reference UWRU8647