methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Catalog No. :: ACXTFZ518
CAS No. :: 288248-46-4
Molecular Formula :: C19H28O13
Molecular Weight :: 464.42

IUPAC Name:methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate structure diagram

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Product Name	methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
IUPAC Name	methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
Molecular Formula	C19H28O13
Molecular Weight	464.42
SMILES	COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)[C@H](O)C[C@]2(C)OC(C)=O
InChI Key	HTOSOQRDFDYOGW-OKJPHAGLSA-N
Synonym	Phlorigidoside B;Cyclopenta[c]pyran-4-carboxylicacid, 7-(acetyloxy)-1-(b-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-,methyl ester, (1S,4aR,5R,7S,7aS)-;Cyclopenta[c]pyran-4-carboxylic acid, 7-(acetyloxy)-1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-, methyl ester, (1S,4aR,5R,7S,7aS)-
CAS No.	288248-46-4

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ACXTFZ518288248-46-4

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ACXTFZ518288248-46-4

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methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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1. ACXTFZ518 Molecular Building Block Synthetic Route

2. ACXTFZ518 Molecular Building Block Synthetic Route

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methyl (1S,4aR,5R,7S,7aS)-7-acetoxy-4a,5-dihydroxy-7-methyl-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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Synthetic Route by SureRoute

Methyl (1R,4aR,5S,6S,7S,7aR)-4a,5,6,7-tetrahydroxy-7-methyl-1-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

6β-Hydroxyipolamiide

methyl (1R,4aR,5S,6R,7S,7aR)-4a,5,6,7-tetrahydroxy-7-methyl-1-(((2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

methyl 4a,5,6,7-tetrahydroxy-7-methyl-1-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

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