(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7a-dihydrocyclopenta[c]pyran-4a(1H)-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol

Catalog No. :: ACKWGU816
CAS No. :: 81720-08-3
Molecular Formula :: C27H42O20
Molecular Weight :: 686.61

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

(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7a-dihydrocyclopenta[c]pyran-4a(1H)-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol structure diagram

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Product Name	(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7a-dihydrocyclopenta[c]pyran-4a(1H)-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
IUPAC Name	(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(((1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5,7a-dihydrocyclopenta[c]pyran-4a(1H)-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
MDL No.	-
Molecular Formula	C27H42O20
Molecular Weight	686.61
SMILES	O[C@H]1[C@@]([C@](C(CO)=C1)([H])[C@@H]2O[C@]([C@@H]([C@@H](O)[C@@H]3O)O)([H])O[C@@H]3CO)(C=CO2)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]4O)([H])[C@@H]4O[C@]([C@@H]([C@@H](O)[C@@H]5O)O)([H])O[C@@H]5CO
InChI Key	JQEFRKPLHFKTFL-SNQOEBIKSA-N
Synonym	Rehmannioside D \| Rhmannioside D \| 81720-08-3 \| (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[[(1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7a-dihydro-1H-cyclopenta[c]pyran-4a-yl]oxy]-4,5-dihydroxy-
CAS No.	81720-08-3
PubChem CID	92044472

Safety Data

Pictogram
Signal Word: Warning
Hazard Statement(s): H315-H319
Precautionary Statement(s): P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364

Synthetic Route by SureRoute

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ACKWGU81681720-08-3

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Synthetic Route by SureRoute

1. ACKWGU816 Molecular Building Block Synthetic Route

2. ACKWGU816 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

(2R,2'R,3S,3'S,4S,4'S,5R,5'R,6S,6'S)-6,6'-(((1S,4aS,5R,7aR)-5-hydroxy-7-(hydroxymethyl)-5,7a-dihydrocyclopenta[c]pyran-1,4a(1H)-diyl)bis(oxy))bis(2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol)

Monomelittoside

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

(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(((1S,4aR,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-3,4,5-triol

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