(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Catalog No. :: ACAJQI484
CAS No. :: 117037-78-2
Molecular Formula :: C21H28O10
Molecular Weight :: 440.45

IUPAC Name:(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione structure diagram

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Product Name	(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
IUPAC Name	(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
Molecular Formula	C21H28O10
Molecular Weight	440.45
SMILES	CC1=C2C(=O)C=C(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](O)C1
InChI Key	ZEMSXERQBUSFBA-KMYOWJDCSA-N
Synonym	Azuleno[4,5-b]furan-2,7-dione, 9-[(β-D-glucopyranosyloxy)methyl]-3,3a,4,5,9a,9b-hexahydro-4-hydroxy-3,6-dimethyl-, (3S,3aR,4S,9aS,9bR)-;Cichorioside B
CAS No.	117037-78-2

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ACAJQI484117037-78-2

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ACAJQI484117037-78-2

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(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

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1. ACAJQI484 Molecular Building Block Synthetic Route

2. ACAJQI484 Molecular Building Block Synthetic Route

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(3R,3aR,4S,9aS,9bR)-4-hydroxy-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

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Synthetic Route by SureRoute

(3S,3aS,9aS,9bS)-3,6-dimethyl-9-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

(3S,3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

(3aR,4S,9aS,9bR)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione

Viburnumoside

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