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CINATRIN-C2;1,2,4-TRIHYDROXYPENTADECANE-1,2,3-TRICARBOXYLIC-ACID-(1->3)-GAMMA-LACTONE
SpectraBase Compound ID JeaHNj4KjNK
InChI InChI=1S/C18H30O8/c1-2-3-4-5-6-7-8-9-10-11-12(19)13-16(22)26-14(15(20)21)18(13,25)17(23)24/h12-14,19,25H,2-11H2,1H3,(H,20,21)(H,23,24)/t12?,13-,14-,18-/m0/s1
InChIKey CBKUHGBCDSGBHV-FEZKJXNCSA-N
Mol Weight 374.43 g/mol
Molecular Formula C18H30O8
Exact Mass 374.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GuVMCcoXYVS
Name CINATRIN-C2;1,2,4-TRIHYDROXYPENTADECANE-1,2,3-TRICARBOXYLIC-ACID-(1->3)-GAMMA-LACTONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H30O8
InChI InChI=1S/C18H30O8/c1-2-3-4-5-6-7-8-9-10-11-12(19)13-16(22)26-14(15(20)21)18(13,25)17(23)24/h12-14,19,25H,2-11H2,1H3,(H,20,21)(H,23,24)/t12?,13-,14-,18-/m0/s1
InChIKey CBKUHGBCDSGBHV-FEZKJXNCSA-N
Literature Reference Author H.ITAZAKI,K.NAGASHIMA,Y.KAWAMURA,K.MATSUMOTO,H.NAKAI,Y.TERUI
Literature Reference Citation J.ANTIBIOTICS,45,38(1992)
Literature Reference DOI 10.7164/antibiotics.45.38
Molecular Weight 374.431 g/mol
Sample ID 53415
Solvent DMSO-D6