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3-O-(BETA-D-XYLOPYRANOSYL)-(1->3)-ALPHA-L-RHAMNOPYRANOSYL-(1->2)-ALPHA-L-ARABINOPYRANOSYL-HEDERAGENIN
SpectraBase Compound ID FcsRbarFpkK
InChI InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1
InChIKey IAGSHEHQJJTLLR-FNINEVAMSA-N
Mol Weight 883.1 g/mol
Molecular Formula C46H74O16
Exact Mass 882.497686 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kYumWfWtxU
Name SAPINDOSIDE-B
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H74O16
InChI InChI=1S/C46H74O16/c1-22-30(50)35(61-37-33(53)31(51)25(48)19-57-37)34(54)38(59-22)62-36-32(52)26(49)20-58-39(36)60-29-11-12-42(4)27(43(29,5)21-47)10-13-45(7)28(42)9-8-23-24-18-41(2,3)14-16-46(24,40(55)56)17-15-44(23,45)6/h8,22,24-39,47-54H,9-21H2,1-7H3,(H,55,56)/t22-,24-,25+,26-,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39-,42-,43-,44+,45+,46-/m0/s1
InChIKey IAGSHEHQJJTLLR-FNINEVAMSA-N
Literature Reference Author H.SAWADA,M.MIYAKOSHI,S.ISODA,Y.IDA,J.SHOJI
Literature Reference Citation PHYTOCHEM.,34,1117(1993)
Literature Reference DOI 10.1016/S0031-9422(00)90727-1
Molecular Weight 883.084 g/mol
Solvent C5D5N
Source File Reference UWVN6931