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MARYLAURENCINOSIDE_A;3,4,5-TRIHYDROXY-2-METHOXY-9,10-DIHYDROPHENANTHRENE-4-O-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID DuZex9PzIri
InChI InChI=1S/C21H24O9/c1-28-12-7-10-6-5-9-3-2-4-11(23)14(9)15(10)20(17(12)25)30-21-19(27)18(26)16(24)13(8-22)29-21/h2-4,7,13,16,18-19,21-27H,5-6,8H2,1H3/t13-,16-,18+,19-,21+/m0/s1
InChIKey CAYDEEUWOXCJSB-ITVHXCKOSA-N
Mol Weight 420.41 g/mol
Molecular Formula C21H24O9
Exact Mass 420.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1wyhpnaVnGC
Name MARYLAURENCINOSIDE_A;3,4,5-TRIHYDROXY-2-METHOXY-9,10-DIHYDROPHENANTHRENE-4-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O9
InChI InChI=1S/C21H24O9/c1-28-12-7-10-6-5-9-3-2-4-11(23)14(9)15(10)20(17(12)25)30-21-19(27)18(26)16(24)13(8-22)29-21/h2-4,7,13,16,18-19,21-27H,5-6,8H2,1H3/t13-,16-,18+,19-,21+/m0/s1
InChIKey CAYDEEUWOXCJSB-ITVHXCKOSA-N
Literature Reference Author K.YOSHIKAWA,T.ITO,K.ISEKI,C.BABA,H.IMAGAWA,Y.YAGI,H.MORITA,Y .ASAKAWA,S.KAWANO,T.
Literature Reference Citation J.NAT.PROD.,75,605(2012)
Literature Reference DOI 10.1021/np200788u
Molecular Weight 420.416 g/mol
Sample ID 40248
Solvent CD3OD