(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

Catalog No. :: ACMUWD595
CAS No. :: 18842-98-3
Molecular Formula :: C18H24O12S
Molecular Weight :: 464.45

IUPAC Name:(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid structure diagram

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Product Information

Product Name	(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
IUPAC Name	(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
MDL No.	MFCD28124366
Molecular Formula	C18H24O12S
Molecular Weight	464.45
SMILES	CSC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12
InChI Key	ICTKKPLVSHVNDV-FCVLBCLDSA-N
Synonym	Paederosidie acid;(1S,4aS,5S,7aS)-1-(beta-D-Glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid;Paederosidic acid;Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-,(1S,4aS,5S,7aS)-;(1S,4aS,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-7-({[(methyls ulfanyl)carbonyl]oxy}methyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyr an-4-carboxylic acid;Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[[(methylthio)carbonyl]oxy]methyl]-, (1S,4aS,5S,7aS)-;Paedelic acid;Paederosidic acid, 10 mM in DMSO
CAS No.	18842-98-3
PubChem CID	21592249

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(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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1. ACMUWD595 Molecular Building Block Synthetic Route

2. ACMUWD595 Molecular Building Block Synthetic Route

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(1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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Synthetic Route by SureRoute

methyl (1S,4aS,5S,7aS)-5-hydroxy-7-((((methylthio)carbonyl)oxy)methyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

S-methyl O-(((2aS,2a1S,4aS,5S)-1-oxo-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2a,2a1,4a,5-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl)methyl) carbonothioate

Asperulosidic acid

(1S,4aS,5S,7aS)-5-Hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid

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