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Cymarine
SpectraBase Compound ID Fv8BeiYMeUw
InChI InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
InChIKey XQCGNURMLWFQJR-ZNDDOCHDSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H44O9
Exact Mass 548.298533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3uAOxuOb4BZ
Name (+)-Cymarin
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 860190
CAS Registry Number 508-77-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H44O9
InChI InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1
InChIKey XQCGNURMLWFQJR-ZNDDOCHDSA-N
Observed nucleus 1H
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Cymarin K-Strophanthidin-D-cymaroside K-Strophanthin-a k-Strophanthin-a
Wiley ID SIAL_1HNMR_010476