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YS-IX;#4;MANOGENIN-3-O-BETA-LYCOTETRAOSIDE;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID ASCt5Xt0BFm
InChI InChI=1S/C50H80O24/c1-18-7-8-50(66-16-18)19(2)32-27(74-50)10-23-21-6-5-20-9-26(24(54)12-48(20,3)22(21)11-31(56)49(23,32)4)67-45-40(64)37(61)41(30(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)28(13-51)68-46)42(35(59)29(14-52)69-47)72-44-38(62)33(57)25(55)17-65-44/h18-30,32-47,51-55,57-64H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+,49-,50+/m1/s1
InChIKey PDWCKNXABYZQOJ-FUOPNMAFSA-N
Mol Weight 1065.2 g/mol
Molecular Formula C50H80O24
Exact Mass 1064.503953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xyxUH7jMHZ
Name YS-IX;#4;MANOGENIN-3-O-BETA-LYCOTETRAOSIDE;3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-[BETA-D-XYLOPYRANOSYL-(1->3)]-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-GALACTOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H80O24
InChI InChI=1S/C50H80O24/c1-18-7-8-50(66-16-18)19(2)32-27(74-50)10-23-21-6-5-20-9-26(24(54)12-48(20,3)22(21)11-31(56)49(23,32)4)67-45-40(64)37(61)41(30(15-53)70-45)71-47-43(73-46-39(63)36(60)34(58)28(13-51)68-46)42(35(59)29(14-52)69-47)72-44-38(62)33(57)25(55)17-65-44/h18-30,32-47,51-55,57-64H,5-17H2,1-4H3/t18-,19+,20+,21-,22+,23+,24-,25+,26-,27+,28-,29-,30+,32+,33-,34-,35-,36+,37+,38+,39-,40+,41-,42+,43-,44-,45+,46+,47+,48+,49-,50+/m1/s1
InChIKey PDWCKNXABYZQOJ-FUOPNMAFSA-N
Literature Reference Author K.NAKANO,Y.MIDZUTA,Y.HARA,K.MURAKAMI,Y.TAKAISHI,T.TOMIMATSU
Literature Reference Citation PHYTOCHEM.,30,633(1991)
Literature Reference DOI 10.1016/0031-9422(91)83741-3
Molecular Weight 1065.171 g/mol
Solvent C5D5N
Source File Reference UWLU32310