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CAULOSIDE-D
SpectraBase Compound ID 4dOh6bNFXEH
InChI InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46+,49+,50+,51-,52-,53+/m1/s1
InChIKey UEHILKCNLIKLEV-RBQJDXKDSA-N
Mol Weight 1075.2 g/mol
Molecular Formula C53H86O22
Exact Mass 1074.561074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lhw5FX7PTFw
Name KIZUTA-SAPONIN-K-10;3-O-(ALPHA-L-ARABINOPYRANOSYL)-HEDERAGENIN-28-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANO
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H86O22
InChI InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25+,26+,27-,28-,29-,30-,31+,32-,33+,34-,35+,36+,37-,38-,39+,40-,41-,42-,43-,44+,45-,46+,49+,50+,51-,52-,53+/m1/s1
InChIKey UEHILKCNLIKLEV-RBQJDXKDSA-N
Literature Reference Author H.B.WANG,R.MAYER,G.RUECKER
Literature Reference Citation PHYTOCHEM.,34,1389(1993)
Literature Reference DOI 10.1016/0031-9422(91)80035-Y
Molecular Weight 1075.253 g/mol
Solvent C5D5N
Source File Reference UWLU20668