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Annosqualine
SpectraBase Compound ID 9bfbZ3rGhfP
InChI InChI=1S/C19H19NO5/c1-24-16-12-5-8-20-14(13(12)9-15(22)17(16)25-2)10-19(18(20)23)6-3-11(21)4-7-19/h3-4,6-7,9,14,22H,5,8,10H2,1-2H3/t14-/m1/s1
InChIKey ZBSGRDVSJUEZRW-CQSZACIVSA-N
Mol Weight 341.36 g/mol
Molecular Formula C19H19NO5
Exact Mass 341.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5ZfKhvzrQI
Name Annosqualine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO5
InChI InChI=1S/C19H19NO5/c1-24-16-12-5-8-20-14(13(12)9-15(22)17(16)25-2)10-19(18(20)23)6-3-11(21)4-7-19/h3-4,6-7,9,14,22H,5,8,10H2,1-2H3/t14-/m1/s1
InChIKey ZBSGRDVSJUEZRW-CQSZACIVSA-N
Molecular Weight 341.363 g/mol
SMILES Oc1cc2[C@@]3(N(C(C4(C=CC(C=C4)=O)C3)=O)CCc2c(c1OC)OC)[H]
SPLASH splash10-0a6u-0189000000-a1cc0ae1159e2cb9a7f0
Source of Spectrum H-87-1399-1
Synonyms 1',5',6',10'b-Tetrahydro-9-hydroxy-7,8'-dimethoxy-spiro[cyclohexa-2,5-diene-1,2'-pyrrolo[2,1-a]isoquinoline]-3',4-dione
Wiley ID 1563823