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

Catalog No. :: ACGZJT042
CAS No. :: 1621908-70-0
Molecular Formula :: C17H26O13
Molecular Weight :: 438.38

IUPAC Name: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 (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 structure diagram

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Product Name	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
IUPAC Name	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
Molecular Formula	C17H26O13
Molecular Weight	438.38
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@](C)(O)[C@H](O)[C@H](O)[C@]12O
InChI Key	QNOVPOGNFVHQOK-WGTKSPNOSA-N
Synonym	5, 9-epi-Phlomiol;Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-7-methyl-, methyl ester, (1S,4aS,5R,6S,7R,7aS)-
CAS No.	1621908-70-0

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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

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1. ACGZJT042 Molecular Building Block Synthetic Route

2. ACGZJT042 Molecular Building Block Synthetic Route

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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

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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 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

methyl 4a,5,6,7,7a-pentahydroxy-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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