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CARNOSIC_ACID_GAMMA_LACTONE_12-PALMITATE
SpectraBase Compound ID B2lQR2FpHHc
InChI InChI=1S/C36H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(37)39-32-28(26(2)3)25-27-21-22-29-35(4,5)23-19-24-36(29)31(27)33(32)40-34(36)38/h25-26,29H,6-24H2,1-5H3/t29?,36-/m1/s1
InChIKey BXAXNGNGEYVGOO-YVSJXSHXSA-N
Mol Weight 552.8 g/mol
Molecular Formula C36H56O4
Exact Mass 552.41786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrjucoXHHcc
Name CARNOSIC_ACID_GAMMA_LACTONE_12-PALMITATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H56O4
InChI InChI=1S/C36H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30(37)39-32-28(26(2)3)25-27-21-22-29-35(4,5)23-19-24-36(29)31(27)33(32)40-34(36)38/h25-26,29H,6-24H2,1-5H3/t29?,36-/m1/s1
InChIKey BXAXNGNGEYVGOO-YVSJXSHXSA-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 552.838 g/mol
Sample ID 35256
Solvent CDCl3