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13-O-[BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-(12-R)-HERACLENOL
SpectraBase Compound ID K4HO4C8GPPr
InChI InChI=1S/C27H34O15/c1-26(2,15(29)9-37-22-20-13(5-6-36-20)7-12-3-4-16(30)41-21(12)22)42-24-19(33)18(32)17(31)14(40-24)8-38-25-23(34)27(35,10-28)11-39-25/h3-7,14-15,17-19,23-25,28-29,31-35H,8-11H2,1-2H3
InChIKey AGQARHVGJIEPHM-UHFFFAOYSA-N
Mol Weight 598.6 g/mol
Molecular Formula C27H34O15
Exact Mass 598.18977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7dv6h2HAHF5
Name 13-O-[BETA-D-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL]-(12-R)-HERACLENOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34O15
InChI InChI=1S/C27H34O15/c1-26(2,15(29)9-37-22-20-13(5-6-36-20)7-12-3-4-16(30)41-21(12)22)42-24-19(33)18(32)17(31)14(40-24)8-38-25-23(34)27(35,10-28)11-39-25/h3-7,14-15,17-19,23-25,28-29,31-35H,8-11H2,1-2H3
InChIKey AGQARHVGJIEPHM-UHFFFAOYSA-N
Literature Reference Author X.M.NIU,S.H.LI,L.X.WU,L.LI,L.H.GAO,H.D.SUN
Literature Reference Citation PLANTA.MED.,70,578(2004)
Literature Reference DOI 10.1055/s-2004-827164
Molecular Weight 598.558 g/mol
Solvent C5D5N
Source File Reference UWMZ48399