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CARNOSIC_ACID_GAMMA_LACTONE_12-LINOLEATE

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CARNOSIC_ACID_GAMMA_LACTONE_12-LINOLEATE
SpectraBase Compound ID JiL1udeM0A8
InChI InChI=1S/C38H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32(39)41-34-30(28(2)3)27-29-23-24-31-37(4,5)25-21-26-38(31)33(29)35(34)42-36(38)40/h10-11,13-14,27-28,31H,6-9,12,15-26H2,1-5H3/b11-10+,14-13+/t31?,38-/m1/s1
InChIKey PVAIQUUEIZLHKW-SCRDPGSXSA-N
Mol Weight 576.9 g/mol
Molecular Formula C38H56O4
Exact Mass 576.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0EUnFBb9K1
Name CARNOSIC_ACID_GAMMA_LACTONE_12-LINOLEATE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H56O4
InChI InChI=1S/C38H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-32(39)41-34-30(28(2)3)27-29-23-24-31-37(4,5)25-21-26-38(31)33(29)35(34)42-36(38)40/h10-11,13-14,27-28,31H,6-9,12,15-26H2,1-5H3/b11-10+,14-13+/t31?,38-/m1/s1
InChIKey PVAIQUUEIZLHKW-SCRDPGSXSA-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 576.860 g/mol
Sample ID 35258
Solvent CDCl3