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#22;TERNATUMOSIDE-XI;KAEMPFEROL-3-O-[BETA-D-6-O-[4-HYDROXY-(E)-CINNAMOYL]-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-7-
SpectraBase Compound ID If7B8YBsYV4
InChI InChI=1S/C48H56O27/c1-17-30(55)42(73-47-40(65)37(62)33(58)27(72-47)16-66-28(54)11-4-18-2-7-20(51)8-3-18)44(75-46-39(64)36(61)32(57)26(15-50)71-46)48(67-17)74-43-34(59)29-23(53)12-22(68-45-38(63)35(60)31(56)25(14-49)70-45)13-24(29)69-41(43)19-5-9-21(52)10-6-19/h2-13,17,25-27,30-33,35-40,42,44-53,55-58,60-65H,14-16H2,1H3/b11-4+/t17-,25-,26+,27-,30-,31-,32+,33-,35+,36-,37+,38-,39+,40-,42+,44+,45-,46-,47+,48-/m0/s1
InChIKey DLCIAUYPLMTPTF-MEHYSMPOSA-N
Mol Weight 1064.9 g/mol
Molecular Formula C48H56O27
Exact Mass 1064.300897 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9idnXRpPj4A
Name #22;TERNATUMOSIDE-XI;KAEMPFEROL-3-O-[BETA-D-6-O-[4-HYDROXY-(E)-CINNAMOYL]-GLUCOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->2)-ALPHA-L-RHAMNOPYRANOSYL-7-
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H56O27
InChI InChI=1S/C48H56O27/c1-17-30(55)42(73-47-40(65)37(62)33(58)27(72-47)16-66-28(54)11-4-18-2-7-20(51)8-3-18)44(75-46-39(64)36(61)32(57)26(15-50)71-46)48(67-17)74-43-34(59)29-23(53)12-22(68-45-38(63)35(60)31(56)25(14-49)70-45)13-24(29)69-41(43)19-5-9-21(52)10-6-19/h2-13,17,25-27,30-33,35-40,42,44-53,55-58,60-65H,14-16H2,1H3/b11-4+/t17-,25-,26+,27-,30-,31-,32+,33-,35+,36-,37+,38-,39+,40-,42+,44+,45-,46-,47+,48-/m0/s1
InChIKey DLCIAUYPLMTPTF-MEHYSMPOSA-N
Literature Reference Author T.WARASHINA,K.UMEHARA,T.MIYASE
Literature Reference Citation CHEM.PHARM.BULL.,60,1561(2012)
Literature Reference DOI 10.1248/cpb.c12-00744
Molecular Weight 1064.956 g/mol
Source File Reference UWBT4685