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THYMOQUINOL-2,5-O-BETA-DIGLUCOPYRANOSIDE

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THYMOQUINOL-2,5-O-BETA-DIGLUCOPYRANOSIDE
SpectraBase Compound ID 9R8UYafKaED
InChI InChI=1S/C22H34O12/c1-8(2)10-5-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)4-12(10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
InChIKey IXJLUOVZXHECLS-OALZDZJCSA-N
Mol Weight 490.5 g/mol
Molecular Formula C22H34O12
Exact Mass 490.205027 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B7GJ4yO3OJS
Name THYMOQUINOL-2,5-O-BETA-DIGLUCOPYRANOSIDE
Compound Number 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H34O12
InChI InChI=1S/C22H34O12/c1-8(2)10-5-11(31-21-19(29)17(27)15(25)13(6-23)33-21)9(3)4-12(10)32-22-20(30)18(28)16(26)14(7-24)34-22/h4-5,8,13-30H,6-7H2,1-3H3/t13-,14-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
InChIKey IXJLUOVZXHECLS-OALZDZJCSA-N
Literature Reference Author M.S.KAMEL,M.H.ASSAF,H.A.HASANEAN,K.OHTANI,R.KASAI,K.YAMASAKI
Literature Reference Citation PHYTOCHEM.,58,1149(2001)
Literature Reference DOI 10.1016/S0031-9422(01)00386-7
Molecular Weight 490.505 g/mol
Solvent C5D5N
Source File Reference UWLU3102