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Chlidanthine
SpectraBase Compound ID 9avi9YZCJi0
InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(20-2)9-14(17)21-16-13(19)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
InChIKey LPCKPBWOSNVCEL-JDFRZJQESA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 58gsuSrLzHe
Name Chlidanthine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-18-8-7-17-6-5-12(20-2)9-14(17)21-16-13(19)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1
InChIKey LPCKPBWOSNVCEL-JDFRZJQESA-N
Literature Reference DOI 10.1002/pca.1028
Molecular Weight 287.359 g/mol
SMILES Oc1ccc2c3c1O[C@]1(C[C@](C=C[C@@]31CCN(C2)C)(OC)[H])[H]
SPLASH splash10-052r-0290000000-aa9fe494cfe6f7884530
Source of Spectrum PA-19-289-289_2
Synonyms (4aS,6R,8aS)-6-methoxy-11-methyl-4a,5,9,10,11,12-hexahydro-6H-benzo[2,3]benzofuro[4,3-cd]azepin-3-ol
Wiley ID 1789543