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Neostemocochinine
SpectraBase Compound ID 11c1uWXpqgw
InChI InChI=1S/C17H25NO3/c1-10-9-14(21-17(10)19)16-11(2)15-12-5-3-7-18(12)8-4-6-13(15)20-16/h9,11-16H,3-8H2,1-2H3/t11?,12?,13?,14-,15?,16?/m1/s1
InChIKey ROFRWHNTTQEGIC-QZUGDJDFSA-N
Mol Weight 291.39 g/mol
Molecular Formula C17H25NO3
Exact Mass 291.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1GQWlmFgBzQ
Name Neostemocochinine
Alternate Name(s) (5R)-3-methyl-5-(1-methyldecahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yl)-2(5H)-furanone (5R*)-3-Methyl-5-[1'-methyl-(decahydro)-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2'-yl]-furan-2(5H)-one
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Formula C17H25NO3
InChI InChI=1S/C17H25NO3/c1-10-9-14(21-17(10)19)16-11(2)15-12-5-3-7-18(12)8-4-6-13(15)20-16/h9,11-16H,3-8H2,1-2H3/t11?,12?,13?,14-,15?,16?/m1/s1
InChIKey ROFRWHNTTQEGIC-QZUGDJDFSA-N
Molecular Weight 291.391 g/mol
SMILES C12C(C([C@@]3(OC(=O)C(=C3)C)[H])OC1CCCN1C2CCC1)C
SPLASH splash10-0006-5910000000-b05c1b45ce8e64ceeac8
Source of Spectrum H-90-2175-4
Wiley ID 1590903