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CARNOSIC_ACID_GAMMA_LACTONE_12-SUCCINATE

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CARNOSIC_ACID_GAMMA_LACTONE_12-SUCCINATE
SpectraBase Compound ID KqSGOajwLZc
InChI InChI=1S/C44H54O8/c1-23(2)27-21-25-11-13-29-41(5,6)17-9-19-43(29)33(25)37(51-39(43)47)35(27)49-31(45)15-16-32(46)50-36-28(24(3)4)22-26-12-14-30-42(7,8)18-10-20-44(30)34(26)38(36)52-40(44)48/h21-24,29-30H,9-20H2,1-8H3/t29?,30?,43-,44+
InChIKey NOAGZFILSMXLGD-HQDPNHOASA-N
Mol Weight 710.9 g/mol
Molecular Formula C44H54O8
Exact Mass 710.381869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JKoKuuZwHt8
Name CARNOSIC_ACID_GAMMA_LACTONE_12-SUCCINATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54O8
InChI InChI=1S/C44H54O8/c1-23(2)27-21-25-11-13-29-41(5,6)17-9-19-43(29)33(25)37(51-39(43)47)35(27)49-31(45)15-16-32(46)50-36-28(24(3)4)22-26-12-14-30-42(7,8)18-10-20-44(30)34(26)38(36)52-40(44)48/h21-24,29-30H,9-20H2,1-8H3/t29?,30?,43-,44+
InChIKey NOAGZFILSMXLGD-HQDPNHOASA-N
Literature Reference Author M.W.PERTINO,C.THEODULOZ,J.A.RODRIGUEZ,T.YANEZ,V.LAZO,G.SCHME DA-HIRSCHMANN
Literature Reference Citation J.NAT.PROD.,73,639(2010)
Literature Reference DOI 10.1021/np900822x
Molecular Weight 710.908 g/mol
Sample ID 35264
Solvent CDCl3