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SCROPHULOSIDE-A1
SpectraBase Compound ID 7Y8q9YSUpbl
InChI InChI=1S/C26H32O12/c1-12-17(36-19(28)8-5-13-3-6-14(34-2)7-4-13)9-15-16(24(32)33)11-35-25(20(12)15)38-26-23(31)22(30)21(29)18(10-27)37-26/h3-8,11-12,15,17-18,20-23,25-27,29-31H,9-10H2,1-2H3,(H,32,33)/b8-5+/t12-,15-,17+,18+,20-,21+,22-,23+,25+,26-/m1/s1
InChIKey UYZNVVOAAXRBNY-MLGSFIQOSA-N
Mol Weight 536.5 g/mol
Molecular Formula C26H32O12
Exact Mass 536.189376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HhqAB12BjXH
Name SCROPHULOSIDE-A1
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32O12
InChI InChI=1S/C26H32O12/c1-12-17(36-19(28)8-5-13-3-6-14(34-2)7-4-13)9-15-16(24(32)33)11-35-25(20(12)15)38-26-23(31)22(30)21(29)18(10-27)37-26/h3-8,11-12,15,17-18,20-23,25-27,29-31H,9-10H2,1-2H3,(H,32,33)/b8-5+/t12-,15-,17+,18+,20-,21+,22-,23+,25+,26-/m1/s1
InChIKey UYZNVVOAAXRBNY-MLGSFIQOSA-N
Literature Reference Author T.MIYASE,A.MIMATSU
Literature Reference Citation J.NAT.PROD.,62,1079(1999)
Literature Reference DOI 10.1021/np9805746
Molecular Weight 536.533 g/mol
Solvent CD3OD
Source File Reference UWCP8752