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METACHROMIN-B-MONOACETATE
SpectraBase Compound ID EYKqrygW1VJ
InChI InChI=1S/C25H34O5/c1-16-9-8-11-24(4,17(16)2)13-14-25(5)12-10-19-22(29-18(3)26)20(27-6)15-21(28-7)23(19)30-25/h10,12,15-16H,2,8-9,11,13-14H2,1,3-7H3/t16-,24-,25+/m1/s1
InChIKey KWPUCJVPYXFYJR-YBEMNCNDSA-N
Mol Weight 414.5 g/mol
Molecular Formula C25H34O5
Exact Mass 414.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 66ryHD8HszN
Name METACHROMIN-B-MONOACETATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O5
InChI InChI=1S/C25H34O5/c1-16-9-8-11-24(4,17(16)2)13-14-25(5)12-10-19-22(29-18(3)26)20(27-6)15-21(28-7)23(19)30-25/h10,12,15-16H,2,8-9,11,13-14H2,1,3-7H3/t16-,24-,25+/m1/s1
InChIKey KWPUCJVPYXFYJR-YBEMNCNDSA-N
Literature Reference Author Y.C.SHEN,C.Y.CHEN,Y.H.KUO
Literature Reference Citation J.NAT.PROD.,64,801(2001)
Literature Reference DOI 10.1021/np000610c
Molecular Weight 414.542 g/mol
Solvent CDCl3
Source File Reference UWSI1629