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BJ2;CYCLOMYLTAYLYL-3-CAFFEATE
SpectraBase Compound ID BgOQnqSdMYP
InChI InChI=1S/2C24H30O4/c2*1-21(2)18(28-19(27)8-6-14-5-7-16(25)17(26)11-14)9-10-23(4)20-15-12-24(21,23)13-22(15,20)3/h2*5-8,11,15,18,20,25-26H,9-10,12-13H2,1-4H3/b2*8-6+/t2*15-,18-,20+,22-,23-,24-/m11/s1
InChIKey VXKUNCOVTASTKD-IEEXLWJOSA-N
Mol Weight 765.0 g/mol
Molecular Formula C48H60O8
Exact Mass 764.428819 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOFnW1JF5Dl
Name BJ2;CYCLOMYLTAYLYL-3-CAFFEATE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H60O8
InChI InChI=1S/2C24H30O4/c2*1-21(2)18(28-19(27)8-6-14-5-7-16(25)17(26)11-14)9-10-23(4)20-15-12-24(21,23)13-22(15,20)3/h2*5-8,11,15,18,20,25-26H,9-10,12-13H2,1-4H3/b2*8-6+/t2*15-,18-,20+,22-,23-,24-/m11/s1
InChIKey VXKUNCOVTASTKD-IEEXLWJOSA-N
Literature Reference Author Y.ASAKAWA,M.TOYOTA,A.UEDA,M.TORI,Y.FUKAZAWA
Literature Reference Citation PHYTOCHEM.,30,3037(1991)
Literature Reference DOI 10.1016/S0031-9422(00)98247-5
Molecular Weight 765.000 g/mol
Solvent CDCl3
Source File Reference UWVN30995