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4,7-Etheno-1H-cyclobut[f]isoindole-5-acetic acid, 6-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-2,3,3a,4,4a,5,6,6a,7,7a-decahydro-2-methyl-1,3-dioxo-
SpectraBase Compound ID 9SuO0Xpjrrz
InChI InChI=1S/C31H32N2O6/c1-32-28(36)22-15(8-9-16(25(22)29(32)37)14-6-4-3-5-7-14)12-19-20(13-21(34)35)24-18-11-10-17(23(19)24)26-27(18)31(39)33(2)30(26)38/h3-11,15-20,22-27H,12-13H2,1-2H3,(H,34,35)
InChIKey IQNKOQICRDYERX-UHFFFAOYSA-N
Mol Weight 528.6 g/mol
Molecular Formula C31H32N2O6
Exact Mass 528.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3FtEjYfrzSb
Name 4,7-Etheno-1H-cyclobut[f]isoindole-5-acetic acid, 6-[(2,3,3a,4,7,7a-hexahydro-2-methyl-1,3-dioxo-7-phenyl-1H-isoindol-4 -yl)methyl]-2,3,3a,4,4a,5,6,6a,7,7a-decahydro-2-methyl-1,3-dioxo-
CAS Registry Number 84590-03-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32N2O6
InChI InChI=1S/C31H32N2O6/c1-32-28(36)22-15(8-9-16(25(22)29(32)37)14-6-4-3-5-7-14)12-19-20(13-21(34)35)24-18-11-10-17(23(19)24)26-27(18)31(39)33(2)30(26)38/h3-11,15-20,22-27H,12-13H2,1-2H3,(H,34,35)
InChIKey IQNKOQICRDYERX-UHFFFAOYSA-N
Molecular Weight 528.605 g/mol
SMILES OC(CC1C2C3C4C(N(C(C4C(C2C1CC1C2C(N(C)C(C2C(C=C1)c1ccccc1)=O)=O)C=C3)=O)C)=O)=O
SPLASH splash10-06r6-4930010000-0b8cb18084633e86f6c7
Source of Spectrum B-35-2256-0
Synonyms Bis-N-methylmaleimide adduct of (1'RS,6'SR,7'SR,8'SR)-2-(8'-[(E,E)-5''-phenylpenta-2'',4''-dien-1''-yl]bicyclo[4.2.0]octa-2',4'-dien-7'-yl)acetic acid Bis-N-methylmaleimide adduct of (1'RS,6'SR,7'SR,8'SR)-2-(8'-[(E,E)-5''-Phenylpenta-2'',4''-dien-1''-yl]bicyclo[4.2.0]octa-2',4'-dien-7'-yl)acetic acid {4-methyl-10-[(2-methyl-1,3-dioxo-7-phenyl-2,3,3a,4,7,7a-hexahydro-1H-isoindol-4-yl)methyl]-3,5-dioxo-4-azatetracyclo[5.4.2.0(2,6).0(8,11)]tridec-12-en-9-yl}acetic acid
Wiley ID 1403094