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Curacin A
SpectraBase Compound ID 4YpArJqY4nZ
InChI InChI=1S/C23H35NOS/c1-5-11-21(25-4)15-14-18(2)12-9-7-6-8-10-13-20-17-26-23(24-20)22-16-19(22)3/h5,7,9-10,12-13,19-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10-,18-12+/t19-,20+,21-,22+/m0/s1
InChIKey LUEYTMPPCOCKBX-KWYHTCOPSA-N
Mol Weight 373.6 g/mol
Molecular Formula C23H35NOS
Exact Mass 373.243936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YuLrVWF4y
Name Curacin A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H35NOS
InChI InChI=1S/C23H35NOS/c1-5-11-21(25-4)15-14-18(2)12-9-7-6-8-10-13-20-17-26-23(24-20)22-16-19(22)3/h5,7,9-10,12-13,19-22H,1,6,8,11,14-17H2,2-4H3/b9-7+,13-10-,18-12+/t19-,20+,21-,22+/m0/s1
InChIKey LUEYTMPPCOCKBX-KWYHTCOPSA-N
Molecular Weight 373.599 g/mol
SMILES C1([C@@]2(C[C@@]2(C)[H])[H])=N[C@](\C=C/CC\C=C\C=C\(CC[C@@](OC)(CC=C)[H])C)(CS1)[H]
SPLASH splash10-003u-9828000000-6088b87b7101ba787990
Source of Spectrum J-61-6562-1
Synonyms (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-2-thiazoline (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyl-tetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydrothiazole (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(1R,2S)-2-methylcyclopropyl]-4,5-dihydrothiazole
Wiley ID 1356201