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CARNOSIC_ACID_GAMMA_LACTONE-12-PHTHALATE

View entire compound with spectra: 1 NMR

CARNOSIC_ACID_GAMMA_LACTONE-12-PHTHALATE
SpectraBase Compound ID D3y2WrasS0y
InChI InChI=1S/C48H54O8/c1-25(2)31-23-27-15-17-33-45(5,6)19-11-21-47(33)35(27)39(55-43(47)51)37(31)53-41(49)29-13-9-10-14-30(29)42(50)54-38-32(26(3)4)24-28-16-18-34-46(7,8)20-12-22-48(34)36(28)40(38)56-44(48)52/h9-10,13-14,23-26,33-34H,11-12,15-22H2,1-8H3/t33?,34?,47-,48+
InChIKey ARPYIEXLQNYFBO-MUDOJPTASA-N
Mol Weight 759.0 g/mol
Molecular Formula C48H54O8
Exact Mass 758.381869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AEdIemOCog7
Name CARNOSIC_ACID_GAMMA_LACTONE-12-PHTHALATE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H54O8
InChI InChI=1S/C48H54O8/c1-25(2)31-23-27-15-17-33-45(5,6)19-11-21-47(33)35(27)39(55-43(47)51)37(31)53-41(49)29-13-9-10-14-30(29)42(50)54-38-32(26(3)4)24-28-16-18-34-46(7,8)20-12-22-48(34)36(28)40(38)56-44(48)52/h9-10,13-14,23-26,33-34H,11-12,15-22H2,1-8H3/t33?,34?,47-,48+
InChIKey ARPYIEXLQNYFBO-MUDOJPTASA-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 758.952 g/mol
Sample ID 35265
Solvent CDCl3