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(5S*,SS*)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-methoxyphenylsulfinyl)phenyl]pyrrol-2(5H)-one
SpectraBase Compound ID FUyDvbRSz5c
InChI InChI=1S/C22H23NO7S/c1-22(2,3)30-21(27)23-15(9-12-18(23)26)19-16(24)10-11-17(25)20(19)31(28)14-7-5-13(29-4)6-8-14/h5-12,15,24-25H,1-4H3/t15-,31?/m0/s1
InChIKey PSQJGCQUVHPESV-NENZQZOMSA-N
Mol Weight 445.49 g/mol
Molecular Formula C22H23NO7S
Exact Mass 445.119523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 39AKsYWTBXm
Name (5S*,SS*)-N-(tert-Butyloxycarbonyl)-5-[3',6'-dihydroxy-2-(p-methoxyphenylsulfinyl)phenyl]pyrrol-2(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO7S
InChI InChI=1S/C22H23NO7S/c1-22(2,3)30-21(27)23-15(9-12-18(23)26)19-16(24)10-11-17(25)20(19)31(28)14-7-5-13(29-4)6-8-14/h5-12,15,24-25H,1-4H3/t15-,31?/m0/s1
InChIKey PSQJGCQUVHPESV-NENZQZOMSA-N
Molecular Weight 445.486 g/mol
SMILES Oc1c(c(c(cc1)O)[C@]1(N(C(OC(C)(C)C)=O)C(C=C1)=O)[H])[S@](c1ccc(cc1)OC)=O
SPLASH splash10-00du-0900000000-f66e3ecc91e26dadeac4
Source of Spectrum J-67-5642-3
Synonyms (2S)-2-[3,6-dihydroxy-2-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]-5-oxo-2H-pyrrole-1-carboxylic acid tert-butyl ester tert-Butyl (2S)-2-[3,6-dihydroxy-2-[(S)-(4-methoxyphenyl)sulfinyl]phenyl]-5-oxo-2H-pyrrole-1-carboxylate tert-Butyl (2S)-2-[2-[(S)-(4-methoxyphenyl)sulfinyl]-3,6-bis(oxidanyl)phenyl]-5-oxidanylidene-2H-pyrrole-1-carboxylate
Wiley ID 1570593