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ISOACTEOSIDE;3,4-DIHYDROXYPHENETHYLOXY-BETA-D-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-6'-O-CAFFEOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID 3qSCQC882EE
InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey FNMHEHXNBNCPCI-AJXURERGSA-N
Mol Weight 624.6 g/mol
Molecular Formula C29H36O15
Exact Mass 624.20542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CkdH8DlsZ23
Name ISOACTEOSIDE;3,4-DIHYDROXYPHENETHYLOXY-BETA-D-(3'-O-ALPHA-L-RHAMNOPYRANOSYL-6'-O-CAFFEOYL)-GLUCOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O15
InChI InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23-,24+,25-,26-,27+,28-,29+/m0/s1
InChIKey FNMHEHXNBNCPCI-AJXURERGSA-N
Literature Reference Author K.YUASA,T.IDE,H.OTSUKA,Y.TAKEDA
Literature Reference Citation J.NAT.PROD.,56,1695(1993)
Literature Reference DOI 10.1021/np50100a006
Molecular Weight 624.596 g/mol
Solvent CD3OD
Source File Reference UWCS4702