Account (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((3S,4R,4aR,6aR,6bR,8S,8aS,12bS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- Catalog No. :
- ACSCTB040
- CAS No. :
- 197705-31-0
- Molecular Formula :
- C42H70O14
- Molecular Weight :
- 799.01
IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((3S,4R,4aR,6aR,6bR,8S,8aS,12bS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((3S,4R,4aR,6aR,6bR,8S,8aS,12bS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((3S,4R,4aR,6aR,6bR,8S,8aS,12bS,14R,14aR,14bS)-8,14-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12b,13,14,14a,14b-icosahydropicen-3-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Molecular Formula | C42H70O14 |
| Molecular Weight | 799.01 |
| SMILES | C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3[C@H](O)C[C@@H]3C5=CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O |
| InChI Key | WTDAWGUIRRPECW-RHXGZTFBSA-N |
| Synonym | β-D-Galactopyranoside, (3β,4α,11α,16β)-11,16,23,28-tetrahydroxyolean-18-en-3-yl 6-deoxy-3-O-β-D-glucopyranosyl-;Bupleuroside XIII |
| CAS No. | 197705-31-0 |
Synthetic Route by SureRoute
2. ACSCTB040 Molecular Building Block Synthetic Route
(2S,3R,4R,5R,6S)-2-(((2R,3S,4R,5R,6R)-4,5-dihydroxy-6-(((3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-2-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
Soyasapogenol A 21-O-α-L-rhamnopyranoside
(2R,3R,4S,5S,6R)-2-(((2R,4aS,4bR,7S,10aS)-7-((R)-1,2-Dihydroxyethyl)-1,1,4a,7-tetramethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydrophenanthren-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol