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NEOCYCLOCITRINOL_D
SpectraBase Compound ID Fy52j5JU1HS
InChI InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17+,18+,19-,21?,22+,23-,25-/m1/s1
InChIKey HDGOYEAHQQCXLC-IZWOWDOFSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBsEZyrRTVv
Name NEOCYCLOCITRINOL_D
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-14(10-23(28)15(2)26)21-6-7-22-20-13-24(29)17-11-16(4-5-18(27)12-17)19(20)8-9-25(21,22)3/h4,10,13,15,17-19,21-23,26-28H,5-9,11-12H2,1-3H3/b14-10+/t15-,17+,18+,19-,21?,22+,23-,25-/m1/s1
InChIKey HDGOYEAHQQCXLC-IZWOWDOFSA-N
Literature Reference Author L.DU,T.ZHU,Y.FANG,Q.GU,W.ZHU
Literature Reference Citation J.NAT.PROD.,71,1343(2008)
Literature Reference DOI 10.1021/np8000442
Molecular Weight 400.558 g/mol
Sample ID 28436
Solvent DMSO-D6