2-(2',3',4',6'-Tetra-O-acetyl-.beta.-D-galactopyranosylthio)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidine-4-thione

SpectraBase Compound ID	CLcqLiYI1TJ
InChI	InChI=1S/C24H28N2O9S3/c1-10(27)31-9-15-18(32-11(2)28)19(33-12(3)29)20(34-13(4)30)23(35-15)38-24-25-21(36)17-14-7-5-6-8-16(14)37-22(17)26-24/h15,18-20,23H,5-9H2,1-4H3,(H,25,26,36)/t15-,18+,19+,20-,23+/m1/s1
InChIKey	NUILQCICJWTAIR-UKFDBNNRSA-N Google Search
Mol Weight	584.67 g/mol
Molecular Formula	C24H28N2O9S3
Exact Mass	584.095694 g/mol

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SpectraBase Spectrum ID	EVWK5m21KxI
Name	2-(2',3',4',6'-Tetra-O-acetyl-.beta.-D-galactopyranosylthio)-5,6,7,8-tetrahydrobenzothieno[2,3-d]pyrimidine-4-thione
Alternate Name(s)	acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-2-oxanyl]methyl ester [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]oxan-2-yl]methyl acetate [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(4-thioxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]tetrahydropyran-2-yl]methyl acetate [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-sulfanylidene-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]oxan-2-yl]methyl ethanoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C24H28N2O9S3
InChI	InChI=1S/C24H28N2O9S3/c1-10(27)31-9-15-18(32-11(2)28)19(33-12(3)29)20(34-13(4)30)23(35-15)38-24-25-21(36)17-14-7-5-6-8-16(14)37-22(17)26-24/h15,18-20,23H,5-9H2,1-4H3,(H,25,26,36)/t15-,18+,19+,20-,23+/m1/s1
InChIKey	NUILQCICJWTAIR-UKFDBNNRSA-N
Molecular Weight	584.673 g/mol
SMILES	N1C(c2c(N=C1S[C@]1([C@@]([C@@](OC(=O)C)([C@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])sc1CCCCc21)=S
SPLASH	splash10-001r-0000090000-28079762cc99cdb1c156
Source of Spectrum	F2-45-4032-17c
Wiley ID	1703862