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2,3,3a.alpha.,4.alpha.,6,11,11a.beta.,11b.alpha.-octahydro-2-methyl-4-(2-phenylethenyll)-1H-pyrrolo[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione

View entire compound with spectra: 1 MS (GC)

2,3,3a.alpha.,4.alpha.,6,11,11a.beta.,11b.alpha.-octahydro-2-methyl-4-(2-phenylethenyll)-1H-pyrrolo[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione
SpectraBase Compound ID 4lrcqGQSQ1j
InChI InChI=1S/C23H22N2O2/c1-24-22(26)20-18(12-11-15-7-3-2-4-8-15)25-14-17-10-6-5-9-16(17)13-19(25)21(20)23(24)27/h2-12,18-21H,13-14H2,1H3/b12-11+/t18-,19-,20+,21-/m1/s1
InChIKey ROHYGTYELXSJBB-FOJNIUGISA-N
Mol Weight 358.44 g/mol
Molecular Formula C23H22N2O2
Exact Mass 358.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65eenFjdcUs
Name 2,3,3a.alpha.,4.alpha.,6,11,11a.beta.,11b.alpha.-octahydro-2-methyl-4-(2-phenylethenyll)-1H-pyrrolo[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3-dione
CAS Registry Number 119816-47-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O2
InChI InChI=1S/C23H22N2O2/c1-24-22(26)20-18(12-11-15-7-3-2-4-8-15)25-14-17-10-6-5-9-16(17)13-19(25)21(20)23(24)27/h2-12,18-21H,13-14H2,1H3/b12-11+/t18-,19-,20+,21-/m1/s1
InChIKey ROHYGTYELXSJBB-FOJNIUGISA-N
Molecular Weight 358.441 g/mol
SMILES [C@@]12([C@@](C(=O)N(C2=O)C)([C@](\C=C\c2ccccc2)([H])N2[C@@]1(Cc1c(cccc1)C2)[H])[H])[H]
SPLASH splash10-014i-0292000000-1308590725ee69a43e42
Source of Spectrum KC-1988-2709-11
Synonyms (3aR,4R,11aR,11bS)-2-methyl-4-[(E)-2-phenylethenyl]-3a,4,6,11,11a,11b-hexahydro-1H-pyrrolo[3',4':3,4]pyrrolo[1,2-b]isoquinoline-1,3(2H)-dione
Wiley ID 1347374