Account Soyasaponin Af
- Catalog No. :
- ACFEGV817
- CAS No. :
- 117230-32-7
- Molecular Formula :
- C61H94O28
- Molecular Weight :
- 1275.40
IUPAC Name:(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-(((2S,3R,4S,5S)-3,5-dihydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid
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Product Information
| Product Name | Soyasaponin Af |
|---|---|
| IUPAC Name | (2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-(((2S,3R,4S,5S)-3,5-dihydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid |
| Molecular Formula | C61H94O28 |
| Molecular Weight | 1275.40 |
| SMILES | CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@H](O)C(C)(C)C[C@H]4C5=CC[C@@H]6[C@@]7(C)CC[C@H](O[C@@H]8O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]8O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@](C)(CO)[C@@H]7CC[C@@]6(C)[C@]5(C)CC[C@@]34C)OC[C@@H]2O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
| InChI Key | DOSMRIGRPILHCA-DENCXTLESA-N |
| Synonym | Soyasaponin Af;β-D-Glucopyranosiduronic acid, (3β,4β,21β,22β)-21,23-dihydroxy-22-[[3-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-α-L-arabinopyranosyl]oxy]olean-12-en-3-yl 2-O-β-D-galactopyranosyl- |
| CAS No. | 117230-32-7 |
| PubChem CID | 14186191 |
Synthetic Route by SureRoute
2. ACFEGV817 Molecular Building Block Synthetic Route
(2S,3S,4S,5R)-6-(((3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-(((2S,3R,4S,5S)-3,5-Dihydroxy-4-(((2S,3R,4S,5R)-3,4,5-triacetoxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-5-(((2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6R)-6-(((3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-9-(((2S,3R,4S,5S)-3,5-Dihydroxy-4-(((2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11
6-((9-((3,5-dihydroxy-4-((3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10-hydroxy-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-5-((4,5-dihydroxy-6-(hydroxymethyl)-3-((3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid