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(1R,4S,4aR,9bS)-1-isopropyl-7,9-dimethoxy-4-methylol-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-ol
SpectraBase Compound ID EpCHHgI7hIp
InChI InChI=1S/C18H26O5/c1-10(2)12-5-6-18(20,9-19)17-15(12)16-13(22-4)7-11(21-3)8-14(16)23-17/h7-8,10,12,15,17,19-20H,5-6,9H2,1-4H3/t12-,15+,17-,18+/m1/s1
InChIKey ALRDIIAHPUWRHS-XGWTYTTDSA-N
Mol Weight 322.4 g/mol
Molecular Formula C18H26O5
Exact Mass 322.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sxnhVPJtax
Name (1R,4S,4aR,9bS)-1-isopropyl-7,9-dimethoxy-4-methylol-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-ol
Alternate Name(s) (1R,4S,4aR,9bS)-4-(hydroxymethyl)-1-isopropyl-7,9-dimethoxy-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-ol (1R,4S,4aR,9bS)-4-(hydroxymethyl)-7,9-dimethoxy-1-propan-2-yl-2,3,4a,9b-tetrahydro-1H-dibenzofuran-4-ol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O5
InChI InChI=1S/C18H26O5/c1-10(2)12-5-6-18(20,9-19)17-15(12)16-13(22-4)7-11(21-3)8-14(16)23-17/h7-8,10,12,15,17,19-20H,5-6,9H2,1-4H3/t12-,15+,17-,18+/m1/s1
InChIKey ALRDIIAHPUWRHS-XGWTYTTDSA-N
Molecular Weight 322.401 g/mol
SMILES O[C@@]1(CO)[C@]2([C@](c3c(cc(cc3O2)OC)OC)([C@@](C(C)C)(CC1)[H])[H])[H]
SPLASH splash10-0006-0091000000-86b1fd29e660df7685cc
Source of Spectrum J-86-1222-16
Wiley ID 1536357