4-Hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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. :: ACSGOX148
CAS No. :: 29118-80-7
Molecular Formula :: C24H30O11
Molecular Weight :: 494.49

IUPAC Name:4-hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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

4-Hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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 Information

Product Name	4-Hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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	4-hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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
MDL No.	MFCD35205011
Molecular Formula	C24H30O11
Molecular Weight	494.49
SMILES	C(OCCC1=CC=C(O)C=C1)(=O)C=2[C@@]3([C@]([C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC2)([C@@H](C)C(=O)C3)[H])[H]
InChI Key	VBXLWOOOZVFVNF-MUNFHUKUSA-N
Synonym	syringopicroside;(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7α-methyl-6-oxocyclopenta[c]pyran-4-carboxylic acid 2-(4-hydroxyphenyl)ethyl ester;Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aS,7R,7aS)-;4-Hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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;Syringopicroside, 10 mM in DMSO
CAS No.	29118-80-7

Safety Data

Pictogram
Signal Word: Achtung
Hazard Statement(s): H302-H315-H319
Precautionary Statement(s): P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501

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4-Hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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

1. ACSGOX148 Molecular Building Block Synthetic Route

2. ACSGOX148 Molecular Building Block Synthetic Route

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4-Hydroxyphenethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-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

(2S,3R,4S)-Methyl 4-(2-(3,4-dihydroxyphenethoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

7-Ketologanin

(1S,4AS,7S,7aS)-7-((((E)-3-(4-hydroxyphenyl)acryloyl)oxy)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-carboxylic acid

methyl (2S,3R,4S)-4-(((2S,6S)-6-(4-(4-hydroxyphenyl)-2-oxobutyl)-4,4-dimethoxytetrahydro-2H-pyran-2-yl)methyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-vinyl-3,4-dihydro-2H-pyran-5-carboxylate

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