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#2;SOLANIGROSIDE_C;(22R,25R)-3-BETA,15-ALPHA,23-ALPHA-TRIHYDROXY-5-ALPHASPIROSTAN-26-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BET
SpectraBase Compound ID 2N09YdjA0DY
InChI InChI=1S/C51H82O26/c1-17-11-27(56)51(77-44(17)67)18(2)28-41(76-51)33(60)29-21-6-5-19-12-20(7-9-49(19,3)22(21)8-10-50(28,29)4)68-45-39(66)36(63)40(26(16-55)72-45)73-48-43(75-47-38(65)35(62)31(58)24(14-53)70-47)42(32(59)25(15-54)71-48)74-46-37(64)34(61)30(57)23(13-52)69-46/h17-43,45-48,52-66H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38+,39-,40+,41-,42-,43+,45-,46+,47-,48-,49+,50-,51-/m1/s1
InChIKey CEOFBCAKZKYATO-DSVLDNENSA-N
Mol Weight 1111.2 g/mol
Molecular Formula C51H82O26
Exact Mass 1110.509433 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRXH7Pr2T9f
Name #2;SOLANIGROSIDE_C;(22R,25R)-3-BETA,15-ALPHA,23-ALPHA-TRIHYDROXY-5-ALPHASPIROSTAN-26-ONE-3-O-BETA-D-GLUCOPYRANOSYL-(1->2)-O-[BETA-D-XYLOPYRANOSYL-(1->3)]-O-BET
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C51H82O26
InChI InChI=1S/C51H82O26/c1-17-11-27(56)51(77-44(17)67)18(2)28-41(76-51)33(60)29-21-6-5-19-12-20(7-9-49(19,3)22(21)8-10-50(28,29)4)68-45-39(66)36(63)40(26(16-55)72-45)73-48-43(75-47-38(65)35(62)31(58)24(14-53)70-47)42(32(59)25(15-54)71-48)74-46-37(64)34(61)30(57)23(13-52)69-46/h17-43,45-48,52-66H,5-16H2,1-4H3/t17-,18+,19+,20+,21-,22+,23-,24+,25+,26-,27+,28+,29-,30-,31+,32+,33-,34+,35-,36-,37-,38+,39-,40+,41-,42-,43+,45-,46+,47-,48-,49+,50-,51-/m1/s1
InChIKey CEOFBCAKZKYATO-DSVLDNENSA-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 1111.196 g/mol
Solvent C5D5N
Source File Reference UWMZ15551