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2-N-((2R,3S,4S)-3-Hydroxy-2-tetradecyltetrahydrofur-4-yl)-4-[(4-methylphenyl)thio]benzo[c]pyrrole-1,3(1H,3H)-dione
SpectraBase Compound ID 8Y1O0IQPtha
InChI InChI=1S/C33H45NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-28-31(35)27(23-38-28)34-32(36)26-16-15-18-29(30(26)33(34)37)39-25-21-19-24(2)20-22-25/h15-16,18-22,27-28,31,35H,3-14,17,23H2,1-2H3/t27-,28+,31-/m0/s1
InChIKey KLDOPWDIBCFUKY-QXIHQKPUSA-N
Mol Weight 551.8 g/mol
Molecular Formula C33H45NO4S
Exact Mass 551.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPN5g3MDrtg
Name 2-N-((2R,3S,4S)-3-Hydroxy-2-tetradecyltetrahydrofur-4-yl)-4-[(4-methylphenyl)thio]benzo[c]pyrrole-1,3(1H,3H)-dione
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Formula C33H45NO4S
InChI InChI=1S/C33H45NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-28-31(35)27(23-38-28)34-32(36)26-16-15-18-29(30(26)33(34)37)39-25-21-19-24(2)20-22-25/h15-16,18-22,27-28,31,35H,3-14,17,23H2,1-2H3/t27-,28+,31-/m0/s1
InChIKey KLDOPWDIBCFUKY-QXIHQKPUSA-N
Molecular Weight 551.786 g/mol
SMILES O[C@]1([C@@](N2C(c3c(Sc4ccc(cc4)C)cccc3C2=O)=O)(CO[C@@]1(CCCCCCCCCCCCCC)[H])[H])[H]
SPLASH splash10-014i-0090010000-ab167e0adf6235c10614
Source of Spectrum O1-55-1130-3
Synonyms 2-N-(3-Hydroxy-2-tetradecyltetrahydrofur-4-yl)-4-[(4-methylphenyl)thio]benzo[c]pyrrole-1,3(1H,3H)-dione 2-[(3S,4S,5R)-4-hydroxy-5-tetradecyltetrahydro-3-furanyl]-4-[(4-methylphenyl)sulfanyl]-1H-isoindole-1,3(2H)-dione
Wiley ID 1591288