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Bipolarin [1,3,6,8-tetrahydroxy-2-(tetrahydrofur-2'-yl)anthraquinone]
SpectraBase Compound ID EcGOrQpomit
InChI InChI=1S/C18H14O7/c19-7-4-8-13(10(20)5-7)17(23)14-9(16(8)22)6-11(21)15(18(14)24)12-2-1-3-25-12/h4-6,12,19-21,24H,1-3H2
InChIKey HNSPRVOMYWIIDS-UHFFFAOYSA-N
Mol Weight 342.3 g/mol
Molecular Formula C18H14O7
Exact Mass 342.073953 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vmGdrlOaHm
Name Bipolarin [1,3,6,8-tetrahydroxy-2-(tetrahydrofur-2'-yl)anthraquinone]
Comments Computed using HOSE algorithm
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Exact Mass 342.073952784 u
Formula C18H14O7
InChI InChI=1S/C18H14O7/c19-7-4-8-13(10(20)5-7)17(23)14-9(16(8)22)6-11(21)15(18(14)24)12-2-1-3-25-12/h4-6,12,19-21,24H,1-3H2
InChIKey HNSPRVOMYWIIDS-UHFFFAOYSA-N
Molecular Weight 342.303 g/mol
SMILES C1=2C(C3=C(C=C(C=C3C(C2C=C(C(=C1O)C1OCCC1)O)=O)O)O)=O