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ACACETIN-6-C-[BETA-D-APIOFURANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE]
SpectraBase Compound ID E6P33mGEPmd
InChI InChI=1S/C27H30O14/c1-37-12-4-2-11(3-5-12)15-6-13(30)18-16(39-15)7-14(31)19(21(18)33)23-22(34)24(20(32)17(8-28)40-23)41-26-25(35)27(36,9-29)10-38-26/h2-7,17,20,22-26,28-29,31-36H,8-10H2,1H3/t17-,20-,22+,23?,24+,25-,26+,27+/m0/s1
InChIKey YDMXOIDNIPFRHO-NFPWPTCQSA-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 GRJe5j0hMFB
Name ACACETIN-6-C-[BETA-D-APIOFURANOSYL-(1->3)-BETA-D-GLUCOPYRANOSIDE]
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30O14
InChI InChI=1S/C27H30O14/c1-37-12-4-2-11(3-5-12)15-6-13(30)18-16(39-15)7-14(31)19(21(18)33)23-22(34)24(20(32)17(8-28)40-23)41-26-25(35)27(36,9-29)10-38-26/h2-7,17,20,22-26,28-29,31-36H,8-10H2,1H3/t17-,20-,22+,23?,24+,25-,26+,27+/m0/s1
InChIKey YDMXOIDNIPFRHO-NFPWPTCQSA-N
Literature Reference Author R.AQUINO,S.MORELLI,M.R.LAURO,S.ABDO,A.SAIJA,A.TOMAINO
Literature Reference Citation J.NAT.PROD.,64,1019(2001)
Literature Reference DOI 10.1021/np0101245
Molecular Weight 578.527 g/mol
Solvent CD3OD
Source File Reference UWSI1730