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ACACETIN-7-O-(ALPHA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 80uBRST6OJ5
InChI InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3/t19-,21-,22+,23-,24+,25-,26+,27-/m1/s1
InChIKey FSUVCZVLSOYPAU-LDSFXQROSA-N
Mol Weight 578.52 g/mol
Molecular Formula C27H30O14
Exact Mass 578.163556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HzjIm7M5vbR
Name ACACETIN-7-O-(ALPHA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O14
InChI InChI=1S/C27H30O14/c1-36-13-4-2-12(3-5-13)17-8-16(30)20-15(29)6-14(7-18(20)40-17)39-25-23(33)22(32)21(31)19(41-25)9-37-26-24(34)27(35,10-28)11-38-26/h2-8,19,21-26,28-29,31-35H,9-11H2,1H3/t19-,21-,22+,23-,24+,25-,26+,27-/m1/s1
InChIKey FSUVCZVLSOYPAU-LDSFXQROSA-N
Literature Reference Author Y.L.LI,J.LI,N.L.WANG,X.S.YAO
Literature Reference Citation MOLECULES,13,1931(2008)
Literature Reference DOI 10.3390/molecules13081931
Molecular Weight 578.527 g/mol
Sample ID 56799
Solvent DMSO-D6