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EXOPHILLIC-ACID

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EXOPHILLIC-ACID
SpectraBase Compound ID 4C3IEsUVxQ1
InChI InChI=1S/C38H56O12/c1-3-5-7-9-11-13-15-17-24-19-26(40)21-29(49-38-35(44)34(43)33(42)30(23-39)50-38)32(24)37(47)48-27-20-25(31(36(45)46)28(41)22-27)18-16-14-12-10-8-6-4-2/h19-22,30,33-35,38-44H,3-18,23H2,1-2H3,(H,45,46)/t30-,33-,34+,35-,38-/m0/s1
InChIKey GBXMNTLQBMLGFM-HEKHEPABSA-N
Mol Weight 704.9 g/mol
Molecular Formula C38H56O12
Exact Mass 704.377177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwP3n5CfkME
Name EXOPHILLIC-ACID
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H56O12
InChI InChI=1S/C38H56O12/c1-3-5-7-9-11-13-15-17-24-19-26(40)21-29(49-38-35(44)34(43)33(42)30(23-39)50-38)32(24)37(47)48-27-20-25(31(36(45)46)28(41)22-27)18-16-14-12-10-8-6-4-2/h19-22,30,33-35,38-44H,3-18,23H2,1-2H3,(H,45,46)/t30-,33-,34+,35-,38-/m0/s1
InChIKey GBXMNTLQBMLGFM-HEKHEPABSA-N
Literature Reference Author J.G.ONDEYKA,D.L.ZINK,A.W.DOMBROWSKI,J.D.POLISHOOK,P.J.FELOCK ,D.J.HAZUDA,S.B.SING
Literature Reference Citation J.ANTIBIOTICS,56,1018(2003)
Literature Reference DOI 10.7164/antibiotics.56.1018
Molecular Weight 704.855 g/mol
Solvent C5D5N
Source File Reference UWSP666