Account 3-O-Β-D-quinovopyranosylquinovic acid 28-O-β-D-glucopyranosyl ester
- Catalog No. :
- ACUBIG587
- CAS No. :
- 124727-10-2
- Molecular Formula :
- C42H66O14
- Molecular Weight :
- 794.98
IUPAC Name:(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-10-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-6a(1H)-carboxylic acid
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Product Information
| Product Name | 3-O-Β-D-quinovopyranosylquinovic acid 28-O-β-D-glucopyranosyl ester |
|---|---|
| IUPAC Name | (1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-10-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-6a(1H)-carboxylic acid |
| Molecular Formula | C42H66O14 |
| Molecular Weight | 794.98 |
| SMILES | C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)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](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 |
| InChI Key | AQLCKWUMMOZIEY-KZNIDIGNSA-N |
| Synonym | Quinovic acid 3-O-(6-deoxy-beta-D-glucopyranoside) 28-O-beta-D-glucopyranosyl ester;Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester;Urs-12-ene-27,28-dioic acid, 3-[(6-deoxy-β-D-glucopyranosyl)oxy]-, 28-β-D-glucopyranosyl ester, (3β)-;Quinovicacid3-O-(6-deoxy-β-D-glucopyranoside)28-O-β-D-glucopyranosylester;Quinovic acid 3-O-(6-deoxy-b-D-glucopyranoside) 28-O-b-D-glucopyranosyl ester |
| CAS No. | 124727-10-2 |
Synthetic Route by SureRoute
2. ACUBIG587 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1S,4aR,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1,10-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate
(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (1R,2R,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-10-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate