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(1R,2S)-2-Methyl-cyclopropanecarbothioic acid S-((3E,7E,9E)-(R)-2-tert-butoxycarbonylamino-13-methoxy-10-methyl-hexadeca-3,7,9,15-tetraenyl)ester

View entire compound with spectra: 1 MS (GC)

(1R,2S)-2-Methyl-cyclopropanecarbothioic acid S-((3E,7E,9E)-(R)-2-tert-butoxycarbonylamino-13-methoxy-10-methyl-hexadeca-3,7,9,15-tetraenyl)ester
SpectraBase Compound ID FOoWUnnyn1V
InChI InChI=1S/C28H45NO4S/c1-8-14-24(32-7)18-17-21(2)15-12-10-9-11-13-16-23(29-27(31)33-28(4,5)6)20-34-26(30)25-19-22(25)3/h8,10,12-13,15-16,22-25H,1,9,11,14,17-20H2,2-7H3,(H,29,31)/b12-10+,16-13+,21-15+/t22-,23+,24?,25+/m0/s1
InChIKey UONLHBPERXUAHA-PLTYAZBOSA-N
Mol Weight 491.7 g/mol
Molecular Formula C28H45NO4S
Exact Mass 491.30693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fwg7gSICJGy
Name (1R,2S)-2-Methyl-cyclopropanecarbothioic acid S-((3E,7E,9E)-(R)-2-tert-butoxycarbonylamino-13-methoxy-10-methyl-hexadeca-3,7,9,15-tetraenyl)ester
Alternate Name(s) 1-{[(2'-Methylcyclopropyl)carbonyl]thio}-2-[(t-butoxycarbonyl)amino]-10-methyl-13-methoxyhexadeca-3,7,9,15-tetraene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H45NO4S
InChI InChI=1S/C28H45NO4S/c1-8-14-24(32-7)18-17-21(2)15-12-10-9-11-13-16-23(29-27(31)33-28(4,5)6)20-34-26(30)25-19-22(25)3/h8,10,12-13,15-16,22-25H,1,9,11,14,17-20H2,2-7H3,(H,29,31)/b12-10+,16-13+,21-15+/t22-,23+,24?,25+/m0/s1
InChIKey UONLHBPERXUAHA-PLTYAZBOSA-N
Molecular Weight 491.731 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@](\C=C\CC\C=C\C=C\(CCC(OC)CC=C)C)(CSC([C@@]1(C[C@@]1(C)[H])[H])=O)[H]
SPLASH splash10-000f-0100900000-6b3a506ac9bfd97a6471
Source of Spectrum C-119-110-48
Wiley ID 1699587