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ATRACTYLOSIDE-A
SpectraBase Compound ID BEPVBmGdv1c
InChI InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13+,15+,16-,17+,18-,20+,21+/m1/s1
InChIKey QNBLVYVBWDIWDM-QNXIMEFYSA-N
Mol Weight 448.5 g/mol
Molecular Formula C21H36O10
Exact Mass 448.230847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID bG3t14Le43
Name ATRACTYLOSIDE-A;(1S,4S,5R,7R,10R)-4,10,11,14-TETRAHYDROXY-GUAI-3-ONE-11-O-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H36O10
InChI InChI=1S/C21H36O10/c1-19(2,31-18-17(27)16(26)15(25)13(8-22)30-18)10-4-5-21(29,9-23)12-7-14(24)20(3,28)11(12)6-10/h10-13,15-18,22-23,25-29H,4-9H2,1-3H3/t10-,11-,12+,13+,15+,16-,17+,18-,20+,21+/m1/s1
InChIKey QNBLVYVBWDIWDM-QNXIMEFYSA-N
Literature Reference Author J.KITAJIMA,A.KAMOSHITA,T.ISHIKAWA,A.TAKANO,T.FUKUDA,S.ISODA, Y.IDA
Literature Reference Citation CHEM.PHARM.BULL.,51,152(2003)
Literature Reference DOI 10.1248/cpb.51.152
Molecular Weight 448.511 g/mol
Solvent C5D5N
Source File Reference UWMS21064