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3-[(1R,9bR)-1-carbomethoxy-9b-hydroxy-5-keto-2,3-dihydro-1H-pyrrol[2,1-a]isoindol-3-yl]propionic acid
SpectraBase Compound ID DQYNi6jhpXJ
InChI InChI=1S/C16H17NO6/c1-23-15(21)12-8-9(6-7-13(18)19)17-14(20)10-4-2-3-5-11(10)16(12,17)22/h2-5,9,12,22H,6-8H2,1H3,(H,18,19)/t9?,12-,16-/m0/s1
InChIKey ONFMPUMKBXMAEK-SBBNOCLBSA-N
Mol Weight 319.31 g/mol
Molecular Formula C16H17NO6
Exact Mass 319.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IF4eZZs0FEC
Name 3-[(1R,9bR)-1-carbomethoxy-9b-hydroxy-5-keto-2,3-dihydro-1H-pyrrol[2,1-a]isoindol-3-yl]propionic acid
Alternate Name(s) 3-[(1R,9bR)-1-methoxycarbonyl-9b-oxidanyl-5-oxidanylidene-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid 3-[(1R,9bR)-9b-hydroxy-1-methoxycarbonyl-5-oxo-2,3-dihydro-1H-pyrrolo[2,1-a]isoindol-3-yl]propanoic acid
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Formula C16H17NO6
InChI InChI=1S/C16H17NO6/c1-23-15(21)12-8-9(6-7-13(18)19)17-14(20)10-4-2-3-5-11(10)16(12,17)22/h2-5,9,12,22H,6-8H2,1H3,(H,18,19)/t9?,12-,16-/m0/s1
InChIKey ONFMPUMKBXMAEK-SBBNOCLBSA-N
Molecular Weight 319.313 g/mol
SMILES OC(CCC1N2[C@](c3c(C2=O)cccc3)([C@@](C1)(C(=O)OC)[H])O)=O
SPLASH splash10-01t9-0972000000-b1642be1dd48d39c89b6
Source of Spectrum F-55-12005-16
Wiley ID 839550