(1S,4aR,7aR)-Methyl 4a-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-carboxylate

Catalog No. :: ACGRQC096
CAS No. :: 23407-76-3
Molecular Formula :: C17H24O11
Molecular Weight :: 404.37

IUPAC Name:methyl (1S,4aR,7aR)-4a-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-carboxylate

(1S,4aR,7aR)-Methyl 4a-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-carboxylate structure diagram

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Product Name	(1S,4aR,7aR)-Methyl 4a-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-carboxylate
IUPAC Name	methyl (1S,4aR,7aR)-4a-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-carboxylate
MDL No.	MFCD20260837
Molecular Formula	C17H24O11
Molecular Weight	404.37
SMILES	O=C(C1=CO[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)[C@@]3([H])[C@]1(O)CC=C3CO)OC
InChI Key	LDBMLOLBWUOZGG-DOFVRBEMSA-N
Synonym	(1S)-1α-(β-D-Glucopyranosyloxy)-1,4a,5,7aα-tetrahydro-4aα-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-4-carboxylic acid methyl ester;Theviridoside;Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-, methyl ester, (1S,4aR,7aR)-;Yellow bitter glycoside;Cyclopenta[c]pyran-4-carboxylicacid, 1-(b-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4a-hydroxy-7-(hydroxymethyl)-,methyl ester, (1S,4aR,7aR)-;Theveridoside
CAS No.	23407-76-3

Safety Data

Pictogram
Signal Word: Danger
Hazard Statement(s): H301-H311-H331
Precautionary Statement(s): P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501

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ACGRQC09623407-76-3

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ACGRQC09623407-76-3

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(1S,4aR,7aR)-Methyl 4a-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-carboxylate

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Synthetic Route by SureRoute

1. ACGRQC096 Molecular Building Block Synthetic Route

2. ACGRQC096 Molecular Building Block Synthetic Route

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(1S,4aR,7aR)-Methyl 4a-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-carboxylate

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Safety Data

Synthetic Route by SureRoute

(4aR,5R,6S)-4a-Hydroxy-6-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-vinyl-4,4a,5,6-tetrahydropyrano[3,4-c]pyran-1(3H)-one

(1S,4aS,7aS)-Methyl 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-carboxylate

Geniposide

Jasminoidin

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