Account ((2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(((3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
- Catalog No. :
- ACUMHD581
- CAS No. :
- 104121-82-6
- Molecular Formula :
- C44H70O14
- Molecular Weight :
- 823.03
IUPAC Name:((2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(((3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate
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Product Information
| Product Name | ((2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(((3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate |
|---|---|
| IUPAC Name | ((2R,3S,4S,5R,6S)-6-(((2R,3R,4S,5S,6R)-3,5-dihydroxy-2-(((3S,4R,4aR,6aR,6bS,8R,8aS,14aR,14bS)-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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl acetate |
| Molecular Formula | C44H70O14 |
| Molecular Weight | 823.03 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4C=CC4=C6CC(C)(C)CC[C@]6(CO)[C@H](O)C[C@]45C)[C@]3(C)CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O |
| InChI Key | JVVGHTDCSIJQTI-IVKXVHIYSA-N |
| Synonym | β-D-Galactopyranoside, (3β,4α,16α)-16,23,28-trihydroxyoleana-11,13(18)-dien-3-yl 3-O-(6-O-acetyl-β-D-glucopyranosyl)-6-deoxy-;6''-O-acetyl-saikosaponin B2 |
| CAS No. | 104121-82-6 |
Synthetic Route by SureRoute
2. ACUMHD581 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((3R,4S,6aR,6bS,8S,8aS,14bS)-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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-3,5-Dihydroxy-2-(((3S,4R,4aR,6aR,6bS,8S,8aS,14aR,14bS)-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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-6-methyltetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
2-((4,5-dihydroxy-6-((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,9,10,11,12,14a,14b-octadecahydropicen-3-yl)oxy)-2-(((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol