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Triptophenolide methyl ether
SpectraBase Compound ID AHJ6aDzDFAh
InChI InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
InChIKey JQYCSQASGZODFD-GHTZIAJQSA-N
Mol Weight 326.44 g/mol
Molecular Formula C21H26O3
Exact Mass 326.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5hrye3UchRd
Name Triptophenolide methyl ether
Alternate Name(s) (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one (3bR,9bS)-7-isopropyl-6-methoxy-9b-methyl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one (3bR,9bS)-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O3
InChI InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1
InChIKey JQYCSQASGZODFD-GHTZIAJQSA-N
Molecular Weight 326.436 g/mol
SMILES [C@@]12([C@](C=3COC(C3CC2)=O)(CCc2c1ccc(C(C)C)c2OC)[H])C
SPLASH splash10-03fr-0009000000-7aff1b185f3957ac6b17
Source of Spectrum F-66-5400-4
Wiley ID 1683770