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4A-CARBOMETHOXY-4,8-DIHYDROXY-6-METHYL-1,4,4A,9A-TETRAHYDRO-XANTHONE
SpectraBase Compound ID INjtZTfahuT
InChI InChI=1S/C16H16O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3,5-7,9,12,17-18H,4H2,1-2H3/t9-,12+,16-/m0/s1
InChIKey SQQVLPAZXRNECF-DUZHOBMZSA-N
Mol Weight 304.3 g/mol
Molecular Formula C16H16O6
Exact Mass 304.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9WS7uCTQx3
Name (4R,4AS,9AR)-1,9A-DIHYDRONIDULALIN-A;GS-4
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O6
InChI InChI=1S/C16H16O6/c1-8-6-10(17)13-11(7-8)22-16(15(20)21-2)9(14(13)19)4-3-5-12(16)18/h3,5-7,9,12,17-18H,4H2,1-2H3/t9-,12+,16-/m0/s1
InChIKey SQQVLPAZXRNECF-DUZHOBMZSA-N
Literature Reference Author H.FUJIMOTO,T.ASAI,Y.P.KIM,M.ISHIBASHI
Literature Reference Citation CHEM.PHARM.BULL.,54,550(2006)
Literature Reference DOI 10.1248/cpb.54.550
Molecular Weight 304.299 g/mol
Sample ID 55234
Solvent CDCl3