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(3S,4S,5S)-5-[2',2'-Bisethylsulfanyl)-(1'R)-1'-hydroxyethyl]-4-(1H)-indol-3-yl)-2-oxotetrahydrofuran-3-carboxylic acid

View entire compound with spectra: 1 MS (GC)

(3S,4S,5S)-5-[2',2'-Bisethylsulfanyl)-(1'R)-1'-hydroxyethyl]-4-(1H)-indol-3-yl)-2-oxotetrahydrofuran-3-carboxylic acid
SpectraBase Compound ID AJPHdn2qHEd
InChI InChI=1S/C19H23NO5S2/c1-3-26-19(27-4-2)15(21)16-13(14(17(22)23)18(24)25-16)11-9-20-12-8-6-5-7-10(11)12/h5-9,13-16,19-21H,3-4H2,1-2H3,(H,22,23)/t13-,14+,15-,16+/m1/s1
InChIKey XNDYPQLISUFLMJ-QXSJWSMHSA-N
Mol Weight 409.52 g/mol
Molecular Formula C19H23NO5S2
Exact Mass 409.101765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GqpdWACKksA
Name (3S,4S,5S)-5-[2',2'-Bisethylsulfanyl)-(1'R)-1'-hydroxyethyl]-4-(1H)-indol-3-yl)-2-oxotetrahydrofuran-3-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO5S2
InChI InChI=1S/C19H23NO5S2/c1-3-26-19(27-4-2)15(21)16-13(14(17(22)23)18(24)25-16)11-9-20-12-8-6-5-7-10(11)12/h5-9,13-16,19-21H,3-4H2,1-2H3,(H,22,23)/t13-,14+,15-,16+/m1/s1
InChIKey XNDYPQLISUFLMJ-QXSJWSMHSA-N
Molecular Weight 409.515 g/mol
SMILES OC([C@@]1([C@]([C@@]([C@](C(SCC)SCC)(O)[H])(OC1=O)[H])(c1c[nH]c2c1cccc2)[H])[H])=O
SPLASH splash10-00lr-0039000000-5074c4701eb7eb927e77
Source of Spectrum QC-21-214-5e
Wiley ID 1688160