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(1S,3R)-AUSTROCORTIRUBIN

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(1S,3R)-AUSTROCORTIRUBIN
SpectraBase Compound ID ECMn71cfrjf
InChI InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8-,16+/m0/s1
InChIKey WWTHHBSODPGTAK-ZKANADHPSA-N
Mol Weight 320.3 g/mol
Molecular Formula C16H16O7
Exact Mass 320.089603 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jz6obNDGtSj
Name (1S,3R)-AUSTROCORTIRUBIN
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16O7
InChI InChI=1S/C16H16O7/c1-16(22)4-6-10(8(18)5-16)15(21)11-7(17)3-9(23-2)14(20)12(11)13(6)19/h3,8,18-19,21-22H,4-5H2,1-2H3/t8-,16+/m0/s1
InChIKey WWTHHBSODPGTAK-ZKANADHPSA-N
Literature Reference Author C.ELSWORTH,M.GILL,A.TEN
Literature Reference Citation AUSTR.J.CHEM.,52,1115(1999)
Literature Reference DOI 10.1071/CH99141
Molecular Weight 320.299 g/mol
Solvent Unknown
Source File Reference UWRU5363