Account (2S,3R,4S,4aR,6aR,8aR,12aS,14aR,14bR)-2-hydroxy-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
- Catalog No. :
- ACWDOH277
- CAS No. :
- 1287702-60-6
- Molecular Formula :
- C35H54O11
- Molecular Weight :
- 650.81
IUPAC Name:(2S,3R,4S,4aR,6aR,8aR,12aS,14aR,14bR)-2-hydroxy-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
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Product Information
| Product Name | (2S,3R,4S,4aR,6aR,8aR,12aS,14aR,14bR)-2-hydroxy-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid |
|---|---|
| IUPAC Name | (2S,3R,4S,4aR,6aR,8aR,12aS,14aR,14bR)-2-hydroxy-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,7,8,9,10,11,12,12a,13,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid |
| MDL No. | MFCD30533229 |
| Molecular Formula | C35H54O11 |
| Molecular Weight | 650.81 |
| SMILES | CC1(C)CC[C@]2(C(=O)O)CCC3=C(CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@@]34C)[C@@H]2C1 |
| InChI Key | UAXIOJAXXUIGDJ-XQYJPQPQSA-N |
| Synonym | 27-Norolean-13-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2-hydroxy-, (2β,3β,4α)-;(2β,3β,4α)-3-(β-D-glucopyranosyloxy)-2-hydroxy-27-Norolean-13-ene-23,28-dioic acid;Saponin A of the yellow flower |
| CAS No. | 1287702-60-6 |
Synthetic Route by SureRoute
2. ACWDOH277 Molecular Building Block Synthetic Route
(3S,4AR,5R,6aS,6bR,8aR,10R,11S,12aR,12bR,14bS)-3,11-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-5,10-bis(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-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
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-2-Hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,4a,5,6,6a,6b,7,8,9,10,11,12,12a,14,14a,14b-octadecahydropicene-4,8a(1H)-dicarboxylic acid
Bernardioside a