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(12S)-BETA,6-ALPHA,19-TRIACETOXY-18-CHLORO-4-ALPHA,12-DIHYDROXY-NEO-CLEROD-13-EN-15,16-OLIDE
SpectraBase Compound ID 607urHXOfY8
InChI InChI=1S/C26H37ClO10/c1-14-8-21(37-17(4)30)26(13-35-15(2)28)23(20(36-16(3)29)6-7-25(26,33)12-27)24(14,5)10-19(31)18-9-22(32)34-11-18/h9,14,19-21,23,31,33H,6-8,10-13H2,1-5H3
InChIKey YJUWYDYDIPAYMC-UHFFFAOYSA-N
Mol Weight 545.0 g/mol
Molecular Formula C26H37ClO10
Exact Mass 544.207525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gvcZBXRjwc
Name (12S)-BETA,6-ALPHA,19-TRIACETOXY-18-CHLORO-4-ALPHA,12-DIHYDROXY-NEO-CLEROD-13-EN-15,16-OLIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H37ClO10
InChI InChI=1S/C26H37ClO10/c1-14-8-21(37-17(4)30)26(13-35-15(2)28)23(20(36-16(3)29)6-7-25(26,33)12-27)24(14,5)10-19(31)18-9-22(32)34-11-18/h9,14,19-21,23,31,33H,6-8,10-13H2,1-5H3
InChIKey YJUWYDYDIPAYMC-UHFFFAOYSA-N
Literature Reference Author P.GUO,Y.LI,J.XU,Y.GUO,D.Q.JIN,J.GAO,W.HOU,T.ZHANG
Literature Reference Citation FITOTERAPIA,82,1123(2011)
Literature Reference DOI 10.1016/j.fitote.2011.07.010
Molecular Weight 545.027 g/mol
Solvent CDCl3
Source File Reference UWDB2043