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cylindricine E
SpectraBase Compound ID KvYLcMWXPqi
InChI InChI=1S/C21H35NO3/c1-3-4-5-6-9-17-14-20(24)19-10-7-8-12-21(19)13-11-18(22(17)21)15-25-16(2)23/h17-19H,3-15H2,1-2H3/t17-,18?,19-,21+/m0/s1
InChIKey WENCIPPGJFUDAM-BRIHBJQLSA-N
Mol Weight 349.5 g/mol
Molecular Formula C21H35NO3
Exact Mass 349.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jVvmgPzSrV
Name cylindricine E
Alternate Name(s) (5-hexyl-7-oxodecahydro-1H-pyrrolo[2,1-j]quinolin-3-yl)methyl acetate
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Formula C21H35NO3
InChI InChI=1S/C21H35NO3/c1-3-4-5-6-9-17-14-20(24)19-10-7-8-12-21(19)13-11-18(22(17)21)15-25-16(2)23/h17-19H,3-15H2,1-2H3/t17-,18?,19-,21+/m0/s1
InChIKey WENCIPPGJFUDAM-BRIHBJQLSA-N
Molecular Weight 349.515 g/mol
SMILES [C@@]123N([C@@](CCCCCC)(CC([C@@]3(CCCC1)[H])=O)[H])C(COC(=O)C)CC2
SPLASH splash10-03fr-0092000000-e62b9f44eaeca0e86029
Source of Spectrum B-47-1355-0
Wiley ID 1341474