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(1S*,2S*,3S*)-1-(3,4-Dimethoxyphenyl)-2,3-bis(hydroxymethyl)-3-hydroxy-6,7-methylenedioxytetralin

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

(1S*,2S*,3S*)-1-(3,4-Dimethoxyphenyl)-2,3-bis(hydroxymethyl)-3-hydroxy-6,7-methylenedioxytetralin
SpectraBase Compound ID CZVfvoCm4IT
InChI InChI=1S/C21H24O7/c1-25-16-4-3-12(5-17(16)26-2)20-14-7-19-18(27-11-28-19)6-13(14)8-21(24,10-23)15(20)9-22/h3-7,15,20,22-24H,8-11H2,1-2H3/t15-,20+,21-/m1/s1
InChIKey BLQDCPAOUJUKBF-GQWLDOHISA-N
Mol Weight 388.42 g/mol
Molecular Formula C21H24O7
Exact Mass 388.152203 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EVykE2V6O5t
Name (1S*,2S*,3S*)-1-(3,4-Dimethoxyphenyl)-2,3-bis(hydroxymethyl)-3-hydroxy-6,7-methylenedioxytetralin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.152203106 u
Formula C21H24O7
InChI InChI=1S/C21H24O7/c1-25-16-4-3-12(5-17(16)26-2)20-14-7-19-18(27-11-28-19)6-13(14)8-21(24,10-23)15(20)9-22/h3-7,15,20,22-24H,8-11H2,1-2H3/t15-,20+,21-/m1/s1
InChIKey BLQDCPAOUJUKBF-GQWLDOHISA-N
Molecular Weight 388.416 g/mol
SMILES C1=2[C@@]([C@@](CO)([C@](CC2C=C2C(=C1)OCO2)(O)CO)[H])(C=1C=C(OC)C(=CC1)OC)[H]