Account (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
- Catalog No. :
- ACXVSU856
- CAS No. :
- 118194-13-1
- Molecular Formula :
- C67H104O33
- Molecular Weight :
- 1437.54
IUPAC Name:Soyasaponin Ab
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Product Information
| Product 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 |
|---|---|
| IUPAC Name | Soyasaponin Ab |
| Molecular Formula | C67H104O33 |
| Molecular Weight | 1437.54 |
| SMILES | C[C@@]12CC[C@]3([C@@](C)(CO)[C@@H](O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@H]6[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O6)CC[C@]3(C)[C@]1(CC=C7[C@@]8(CC(C)(C)[C@@H](O)[C@@H](O[C@@H]9OC[C@H](O)[C@H](O[C@@H]%10O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]%10OC(C)=O)[C@H]9O)[C@]8(C)CC[C@@]27C)[H])[H])[H] |
| InChI Key | YZNCIXVBVQRGQN-YUTHWCJWSA-N |
| Synonym | SOYASAPONIN ABACETYLSOYASAPONIN A1 | AKOS030530172 | DTXSID301317312 | CS-0023029 | soyosaponin Ab | soyasaponin Ab | HY-N3026 | MS-32169 |
| CAS No. | 118194-13-1 |
| PubChem CID | 102004833 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACXVSU856 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
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
6-((9-((3,5-dihydroxy-4-((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)-3,4-dihydroxy-5-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-carboxylic acid