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CNIDIMOSIDE-B;5-HYDROXY-7-METHYOXY-6-[(2Z)-3-BETA-D-GLUCOPYRANOSYL-METHYL-2-BUTENYL]-2-METHYL-4H-[1]-BENZOPYRAN-4-ONE
SpectraBase Compound ID 9Kp23N51DMT
InChI InChI=1S/C22H28O10/c1-10(9-30-22-21(28)20(27)19(26)16(8-23)32-22)4-5-12-14(29-3)7-15-17(18(12)25)13(24)6-11(2)31-15/h4,6-7,16,19-23,25-28H,5,8-9H2,1-3H3/b10-4-/t16-,19-,20+,21-,22-/m0/s1
InChIKey APIUPIUHUJUJME-HMDFLKFSSA-N
Mol Weight 452.46 g/mol
Molecular Formula C22H28O10
Exact Mass 452.168247 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMIBOQuIymd
Name CNIDIMOSIDE-B;5-HYDROXY-7-METHYOXY-6-[(2Z)-3-BETA-D-GLUCOPYRANOSYL-METHYL-2-BUTENYL]-2-METHYL-4H-[1]-BENZOPYRAN-4-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28O10
InChI InChI=1S/C22H28O10/c1-10(9-30-22-21(28)20(27)19(26)16(8-23)32-22)4-5-12-14(29-3)7-15-17(18(12)25)13(24)6-11(2)31-15/h4,6-7,16,19-23,25-28H,5,8-9H2,1-3H3/b10-4-/t16-,19-,20+,21-,22-/m0/s1
InChIKey APIUPIUHUJUJME-HMDFLKFSSA-N
Literature Reference Author K.BABA,H.KAWANISHI,M.TANIGUCHI,M.KOZAWA
Literature Reference Citation PHYTOCHEM.,35,221(1994)
Literature Reference DOI 10.1016/s0031-9422(00)90538-7
Molecular Weight 452.458 g/mol
Solvent DMSO-D6
Source File Reference UWLU24170