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1,3,3a.alpha.,4.alpha.,6,7,11b.beta.,11c.alpha.-Octahydro-2-methyl-4(2'-formylphenyl)-1H-pyrrolo[3',4'-3,4]pyrrolo[2,1-a]isoquinoline-1,3-dione
SpectraBase Compound ID Fc5G2pSzUnx
InChI InChI=1S/C22H20N2O3/c1-23-21(26)17-18(22(23)27)20(16-9-5-3-7-14(16)12-25)24-11-10-13-6-2-4-8-15(13)19(17)24/h2-9,12,17-20H,10-11H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey AZOURUXTOFQMEG-FUMNGEBKSA-N
Mol Weight 360.41 g/mol
Molecular Formula C22H20N2O3
Exact Mass 360.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EZa5nVOGUds
Name 1,3,3a.alpha.,4.alpha.,6,7,11b.beta.,11c.alpha.-Octahydro-2-methyl-4(2'-formylphenyl)-1H-pyrrolo[3',4'-3,4]pyrrolo[2,1-a]isoquinoline-1,3-dione
Alternate Name(s) 2-[(8S,8aS,11aR,11bR)-10-methyl-9,11-dioxo-5,8,8a,9,10,11,11a,11b-octahydro-6H-pyrrolo[3',4':3,4]pyrrolo[2,1-a]isoquinolin-8-yl]benzaldehyde
CAS Registry Number 131713-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O3
InChI InChI=1S/C22H20N2O3/c1-23-21(26)17-18(22(23)27)20(16-9-5-3-7-14(16)12-25)24-11-10-13-6-2-4-8-15(13)19(17)24/h2-9,12,17-20H,10-11H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey AZOURUXTOFQMEG-FUMNGEBKSA-N
Molecular Weight 360.413 g/mol
SMILES [C@]12([C@](C(=O)N(C2=O)C)([C@@](c2c(C=O)cccc2)(N2[C@]1(c1c(CC2)cccc1)[H])[H])[H])[H]
SPLASH splash10-001i-0903000000-822d9e1dc9db3f164a52
Source of Spectrum F-46-6462-15
Wiley ID 1348517