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CARNOSIC_ACID_GAMMA_LACTONE_12-BENZOATE
SpectraBase Compound ID ABylxeKLAho
InChI InChI=1S/C27H30O4/c1-16(2)19-15-18-11-12-20-26(3,4)13-8-14-27(20)21(18)23(31-25(27)29)22(19)30-24(28)17-9-6-5-7-10-17/h5-7,9-10,15-16,20H,8,11-14H2,1-4H3/t20?,27-/m1/s1
InChIKey PLZNUFUFHRRZLA-MQBBKVSDSA-N
Mol Weight 418.53 g/mol
Molecular Formula C27H30O4
Exact Mass 418.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8HeFuAwDI7h
Name CARNOSIC_ACID_GAMMA_LACTONE_12-BENZOATE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O4
InChI InChI=1S/C27H30O4/c1-16(2)19-15-18-11-12-20-26(3,4)13-8-14-27(20)21(18)23(31-25(27)29)22(19)30-24(28)17-9-6-5-7-10-17/h5-7,9-10,15-16,20H,8,11-14H2,1-4H3/t20?,27-/m1/s1
InChIKey PLZNUFUFHRRZLA-MQBBKVSDSA-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 418.533 g/mol
Sample ID 35259
Solvent CDCl3