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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9o35rvYRvlB
Name 3-Hydroxy-10-(3-hydroxy-3-methylbutyl)-9-methoxypterocarpan
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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 Oc1cc2c([C@@]3(Oc4c(CCC(O)(C)C)c(ccc4[C@@]3(CO2)[H])OC)[H])cc1
SPLASH splash10-0019-0059000000-82b7ea5dfa1a4cf65cbd
Source of Spectrum O1-63-883-1
Synonyms (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran-3-ol (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol (6aR,11aR)-9-methoxy-10-(3-methyl-3-oxidanyl-butyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
Wiley ID 1592564