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-Carboxylate
SpectraBase Compound ID 4EYHihw02lL
InChI InChI=1S/C28H43NO5S/c1-19-8-11-24-27(2,14-7-15-28(24,3)26(31)33-5)21(19)10-9-20-12-16-34-23(20)18-29-22(13-17-35-6)25(30)32-4/h12,16,22,24,29H,7-11,13-15,17-18H2,1-6H3/t22?,24-,27-,28+/m1/s1
InChIKey HJQRIBWMQRSIKX-BRMJEACXSA-N
Mol Weight 505.7 g/mol
Molecular Formula C28H43NO5S
Exact Mass 505.286195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJt0HhMYcM0
Name -Carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H43NO5S
InChI InChI=1S/C28H43NO5S/c1-19-8-11-24-27(2,14-7-15-28(24,3)26(31)33-5)21(19)10-9-20-12-16-34-23(20)18-29-22(13-17-35-6)25(30)32-4/h12,16,22,24,29H,7-11,13-15,17-18H2,1-6H3/t22?,24-,27-,28+/m1/s1
InChIKey HJQRIBWMQRSIKX-BRMJEACXSA-N
Molecular Weight 505.714 g/mol
SMILES N(Cc1c(CCC=2[C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CCC2C)[H])C)cco1)C(C(=O)OC)CCSC
SPLASH splash10-0abc-5907010000-bc2d97197ec051b92fe0
Source of Spectrum O1-47-1875-8
Synonyms Methyl(1S,4aS,8aR)-5-{2-[2-(1-methoxy-4-methylsulfanyl-1-oxobutan-2-ylaminomethyl)-furan-3-yl]ethyl}-1,4a,6-trimethyl-1,2,3,4,4a,7,8,8aoctahydronaphthalene-
Wiley ID 1669649