(1S,2R,4AS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid

Catalog No. :: ACVFUO853
CAS No. :: 167875-39-0
Molecular Formula :: C42H66O14
Molecular Weight :: 794.98

IUPAC Name:(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid

(1S,2R,4AS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid structure diagram

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Product Information

Product Name	(1S,2R,4AS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid
IUPAC Name	(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2R,3R,4R,5R,6R)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid
Molecular Formula	C42H66O14
Molecular Weight	794.98
SMILES	C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C(=O)O)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
InChI Key	IIIOQVDDEWZCEQ-WJMBNSPDSA-N
Synonym	rubelloside B;Urs-12-ene-27,28-dioicacid, 3-[(6-deoxy-4-O-b-D-glucopyranosyl-b-D-galactopyranosyl)oxy]-, (3b)-;(3beta)-3-[(6-Deoxy-4-O-beta-D-glucopyranosyl-beta-D-galactopyranosyl)oxy]urs-12-ene-27,28-dioic acid;Urs-12-ene-27,28-dioic acid, 3-[(6-deoxy-4-O-β-D-glucopyranosyl-β-D-galactopyranosyl)oxy]-, (3β)-
CAS No.	167875-39-0

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Synthetic Route by SureRoute

1. ACVFUO853 Molecular Building Block Synthetic Route

2. ACVFUO853 Molecular Building Block Synthetic Route

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Synthetic Route by SureRoute

1,2,6b,9,9,12a-hexamethyl-10-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid

Quinovic acid 3-O-alpha-L-rhamnopyranoside

(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid

10-((7-hydroxy-2,2,4-trimethyltetrahydro-4H-[1,3]dioxolo[4,5-c]pyran-6-yl)oxy)-1,2,6b,9,9,12a-hexamethyl-1,2,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a,6a-dicarboxylic acid

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