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3-Hydroxy-10-(3-hydroxy-3-methylbutyl)-9-methoxypterocarpan

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

3-Hydroxy-10-(3-hydroxy-3-methylbutyl)-9-methoxypterocarpan
SpectraBase Compound ID 2WL6tCJGpOy
InChI InChI=1S/C21H24O5/c1-21(2,23)9-8-15-17(24-3)7-6-13-16-11-25-18-10-12(22)4-5-14(18)20(16)26-19(13)15/h4-7,10,16,20,22-23H,8-9,11H2,1-3H3/t16-,20-/m0/s1
InChIKey QSWBCPQDDKJHGF-JXFKEZNVSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C3gzzqom29T
Name 3-Hydroxy-10-(3-hydroxy-3-methylbutyl)-9-methoxypterocarpan
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.162373868 u
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-21(2,23)9-8-15-17(24-3)7-6-13-16-11-25-18-10-12(22)4-5-14(18)20(16)26-19(13)15/h4-7,10,16,20,22-23H,8-9,11H2,1-3H3/t16-,20-/m0/s1
InChIKey QSWBCPQDDKJHGF-JXFKEZNVSA-N
Molecular Weight 356.418 g/mol
SMILES C=12O[C@]3(C=4C(=CC(=CC4)O)OC[C@]3(C1C=CC(=C2CCC(O)(C)C)OC)[H])[H]