Account Ilexsaponin B2
- Catalog No. :
- ACMEJG165
- CAS No. :
- 108906-69-0
- Molecular Formula :
- C47H76O17
- Molecular Weight :
- 913.11
IUPAC Name:(1R,2S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5R)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-1-hydroxy-1,2,6a,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)-carboxylic acid
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Product Information
| Product Name | Ilexsaponin B2 |
|---|---|
| IUPAC Name | (1R,2S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5R)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-1-hydroxy-1,2,6a,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)-carboxylic acid |
| Molecular Formula | C47H76O17 |
| Molecular Weight | 913.11 |
| SMILES | O=C([C@]12CC[C@H](C)[C@@](C)(O)[C@@]1([H])C3=CC[C@]4([H])[C@@]5(C)CC[C@H](O[C@H]6[C@H](O[C@H]7[C@H](O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O8)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)CO6)C(C)(C)[C@]5([H])CC[C@@]4(C)[C@]3(C)CC2)O |
| InChI Key | KWHRIYSRPSARCX-UYJUBCEVSA-N |
| Synonym | ilexsaponin B2;2)-beta-D-xylopyranosyl)oxy]-19-hydroxy-urs-12-en-28-oic acid;(3beta,20beta)-3-[(O-6-Deoxy-alpha-L-mannopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-2)-beta-D-xylopyranosyl)oxy]-19-hydroxy-urs-12-en-28-oic acid;product/154922;Urs-12-en-28-oic acid, 3-[(O-6-deoxy-α-L-mannopyranosyl-(1→2)-O-β-D-glucopyranosyl-(1→2)-β-D-xylopyranosyl)oxy]-19-hydroxy-, (3β,20β)-;Xanthone Impurity 14-d7 |
| CAS No. | 108906-69-0 |
Synthetic Route by SureRoute
2. ACMEJG165 Molecular Building Block Synthetic Route
(1R,2S,4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5R)-4,5-Dihydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-1-hydroxy-1,2,6a,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)-carboxylic acid
(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)-carboxylic acid
(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)-carboxylic acid