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#6;SOLANIGROSIDE_G;(25R)-3-BETA,15-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(
SpectraBase Compound ID GDk1mRmscRJ
InChI InChI=1S/C50H82O23/c1-19-7-12-50(65-17-19)20(2)29-41(73-50)34(58)30-23-6-5-21-13-22(8-10-48(21,3)24(23)9-11-49(29,30)4)66-45-39(63)36(60)40(28(16-53)69-45)70-47-43(72-46-38(62)35(59)32(56)26(14-51)67-46)42(33(57)27(15-52)68-47)71-44-37(61)31(55)25(54)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,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-/m1/s1
InChIKey HVSIYDVSJUTGKS-CFSCFQFYSA-N
Mol Weight 1051.2 g/mol
Molecular Formula C50H82O23
Exact Mass 1050.524689 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rY7jczZZs
Name #6;SOLANIGROSIDE_G;(25R)-3-BETA,15-ALPHA-DIHYDROXY-5-ALPHA-SPIROSTAN-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BETA-D-GLUCOPYRANOSYL-(
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H82O23
InChI InChI=1S/C50H82O23/c1-19-7-12-50(65-17-19)20(2)29-41(73-50)34(58)30-23-6-5-21-13-22(8-10-48(21,3)24(23)9-11-49(29,30)4)66-45-39(63)36(60)40(28(16-53)69-45)70-47-43(72-46-38(62)35(59)32(56)26(14-51)67-46)42(33(57)27(15-52)68-47)71-44-37(61)31(55)25(54)18-64-44/h19-47,51-63H,5-18H2,1-4H3/t19-,20+,21+,22+,23-,24+,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-/m1/s1
InChIKey HVSIYDVSJUTGKS-CFSCFQFYSA-N
Literature Reference Author X.ZHOU,X.HE,G.WANG,H.GAO,G.ZHOU,W.YE,X.YAO
Literature Reference Citation J.NAT.PROD.,69,1158(2006)
Literature Reference DOI 10.1021/np060091z
Molecular Weight 1051.187 g/mol
Solvent C5D5N
Source File Reference UWMZ15550