2-(2',3',4',6-Tetra-O-acetyl-.beta.-D-galactopyranosylthio)-6,7,8,9,10-pentahydrocycloheptathieno[2,3-d]pyrimidine-4-thione

SpectraBase Compound ID	AXbdPot2wA0
InChI	InChI=1S/C25H30N2O9S3/c1-11(28)32-10-16-19(33-12(2)29)20(34-13(3)30)21(35-14(4)31)24(36-16)39-25-26-22(37)18-15-8-6-5-7-9-17(15)38-23(18)27-25/h16,19-21,24H,5-10H2,1-4H3,(H,26,27,37)/t16-,19+,20+,21-,24+/m1/s1
InChIKey	QPZUIKDMJBIUFK-LXFFINNZSA-N Google Search
Mol Weight	598.7 g/mol
Molecular Formula	C25H30N2O9S3
Exact Mass	598.111344 g/mol

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SpectraBase Spectrum ID	4zypC765rvV
Name	2-(2',3',4',6-Tetra-O-acetyl-.beta.-D-galactopyranosylthio)-6,7,8,9,10-pentahydrocycloheptathieno[2,3-d]pyrimidine-4-thione
Alternate Name(s)	acetic acid [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-sulfanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)thio]-2-oxanyl]methyl ester [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-sulfanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]oxan-2-yl]methyl acetate [(2R,3S,4S,5R,6S)-3,4,5-triacetoxy-6-[(4-thioxo-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-2-yl)sulfanyl]tetrahydropyran-2-yl]methyl acetate [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(4-sulfanylidene-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]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	C25H30N2O9S3
InChI	InChI=1S/C25H30N2O9S3/c1-11(28)32-10-16-19(33-12(2)29)20(34-13(3)30)21(35-14(4)31)24(36-16)39-25-26-22(37)18-15-8-6-5-7-9-17(15)38-23(18)27-25/h16,19-21,24H,5-10H2,1-4H3,(H,26,27,37)/t16-,19+,20+,21-,24+/m1/s1
InChIKey	QPZUIKDMJBIUFK-LXFFINNZSA-N
Molecular Weight	598.700 g/mol
SMILES	N1C(c2c(N=C1S[C@]1([C@@]([C@]([C@@](OC(=O)C)([C@](O1)(COC(=O)C)[H])[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])sc1CCCCCc21)=S
SPLASH	splash10-0002-0000091000-3e1d2e140e4600ddcbf9
Source of Spectrum	F2-45-4032-17d
Wiley ID	1703861