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3-Hydroxy-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene

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3-Hydroxy-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
SpectraBase Compound ID De46cn2mzO0
InChI InChI=1S/C22H28O7/c1-26-17-6-5-13(7-18(17)27-2)21-15-9-20(29-4)19(28-3)8-14(15)10-22(25,12-24)16(21)11-23/h5-9,16,21,23-25H,10-12H2,1-4H3/t16-,21-,22-/m1/s1
InChIKey PKMNTFZWHYHFDL-NPFVIJTESA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J5gnILtT9tF
Name 3-Hydroxy-2,3-bis(hydroxymethyl)-6,7-dimethoxy-1-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.183503235 u
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-26-17-6-5-13(7-18(17)27-2)21-15-9-20(29-4)19(28-3)8-14(15)10-22(25,12-24)16(21)11-23/h5-9,16,21,23-25H,10-12H2,1-4H3/t16-,21-,22-/m1/s1
InChIKey PKMNTFZWHYHFDL-NPFVIJTESA-N
Molecular Weight 404.459 g/mol
SMILES C1=2[C@]([C@@](CO)([C@](CC2C=C(C(=C1)OC)OC)(O)CO)[H])(C=1C=C(OC)C(=CC1)OC)[H]