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SOLACULINE-A;(25S)-3-BETA-[O-ALPHA-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-XYLOPYRANOSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GALACTOPYRANOSYLO
SpectraBase Compound ID HaIkPdYcbGy
InChI InChI=1S/C50H81NO19/c1-20-9-14-50(51-17-20)21(2)32-30(70-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,32)6)65-47-43(69-45-39(60)36(57)33(54)22(3)63-45)40(61)41(31(18-52)66-47)67-46-42(37(58)34(55)23(4)64-46)68-44-38(59)35(56)29(53)19-62-44/h7,20-23,25-47,51-61H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26?,27?,28?,29+,30?,31+,32?,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,50-/m0/s1
InChIKey RMXBEFPNQXHZDG-IZZPRUQZSA-N
Mol Weight 1000.2 g/mol
Molecular Formula C50H81NO19
Exact Mass 999.540279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXTEFomejf5
Name SOLACULINE-A;(25S)-3-BETA-[O-ALPHA-RHAMNOPYRANOSYL-(1->2)-[O-BETA-D-XYLOPYRANOSYL-(1->2)-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)]-BETA-D-GALACTOPYRANOSYLO
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H81NO19
InChI InChI=1S/C50H81NO19/c1-20-9-14-50(51-17-20)21(2)32-30(70-50)16-28-26-8-7-24-15-25(10-12-48(24,5)27(26)11-13-49(28,32)6)65-47-43(69-45-39(60)36(57)33(54)22(3)63-45)40(61)41(31(18-52)66-47)67-46-42(37(58)34(55)23(4)64-46)68-44-38(59)35(56)29(53)19-62-44/h7,20-23,25-47,51-61H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26?,27?,28?,29+,30?,31+,32?,33-,34-,35-,36+,37+,38+,39+,40-,41-,42+,43+,44-,45-,46-,47+,48-,49-,50-/m0/s1
InChIKey RMXBEFPNQXHZDG-IZZPRUQZSA-N
Literature Reference Author A.W.WANYONYI,S.C.CHHABRA,G.MKOJI,U.EILERT,W.M.NJUE
Literature Reference Citation PHYTOCHEM.,59,79(2002)
Literature Reference DOI 10.1016/S0031-9422(01)00424-1
Molecular Weight 1000.188 g/mol
Solvent CD3OD:CDCl3=1:1
Source File Reference UWVN2493