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(3aR,9S,9aR)-6-methoxy-9-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-7-ol
SpectraBase Compound ID DxbsDXSxWGw
InChI InChI=1S/C20H22O5/c1-23-18-6-11(3-4-16(18)21)20-14-8-17(22)19(24-2)7-12(14)5-13-9-25-10-15(13)20/h3-4,6-8,13,15,20-22H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
InChIKey ACZXQXPBLQFZRP-KPHUOKFYSA-N
Mol Weight 342.39 g/mol
Molecular Formula C20H22O5
Exact Mass 342.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPex8oHAEPX
Name (3aR,9S,9aR)-6-methoxy-9-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-7-ol
CAS Registry Number 78215-85-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O5
InChI InChI=1S/C20H22O5/c1-23-18-6-11(3-4-16(18)21)20-14-8-17(22)19(24-2)7-12(14)5-13-9-25-10-15(13)20/h3-4,6-8,13,15,20-22H,5,9-10H2,1-2H3/t13-,15-,20-/m0/s1
InChIKey ACZXQXPBLQFZRP-KPHUOKFYSA-N
Molecular Weight 342.391 g/mol
SMILES Oc1c(cc([C@]2(c3cc(c(cc3C[C@]3(COC[C@]23[H])[H])OC)O)[H])cc1)OC
SPLASH splash10-0006-1409000000-381a3303abf7bffaaf29
Source of Spectrum B-38-1640-13
Synonyms (3aR,9S,9aR)-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-1,3,3a,4,9,9a-hexahydrobenzo[f]isobenzofuran-7-ol (3aR,9S,9aR)-9-(4-hydroxy-3-methoxy-phenyl)-6-methoxy-1,3,3a,4,9,9a-hexahydrobenz[f]isobenzofuran-7-ol (3aR,9S,9aR)-9-(4-hydroxy-3-methoxyphenyl)-6-methoxy-1,3,3a,4,9,9a-hexahydrobenzo[f][2]benzofuran-7-ol
Wiley ID 1336651