Account Saponin
- Catalog No. :
- ACEHDM874
- CAS No. :
- 8047-15-2
- Molecular Formula :
- C58H94O27
- Molecular Weight :
- 1223.36
IUPAC Name:(3S,6aR,6bS,8R,11R,12aS,14aR,14bR)-3-(((2S,3R,4S,5S)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-8-hydroxy-4,4,6a,6b,11,14b-hexamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picene-11-carbaldehyde
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Product Information
| Product Name | Saponin |
|---|---|
| IUPAC Name | (3S,6aR,6bS,8R,11R,12aS,14aR,14bR)-3-(((2S,3R,4S,5S)-3-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-8-hydroxy-4,4,6a,6b,11,14b-hexamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picene-11-carbaldehyde |
| MDL No. | MFCD00081981 |
| Molecular Formula | C58H94O27 |
| Molecular Weight | 1223.36 |
| SMILES | CC1(C)C2CC[C@]3(C)[C@H](CCC45OCC6(CC[C@@](C)(C=O)C[C@@H]64)[C@H](O)C[C@]53C)[C@@]2(C)CC[C@@H]1O[C@@H]1OC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI Key | MAEBCGDGGATMSC-OSHGGGOQSA-N |
| Synonym | SAPONIN | BRN 0078682 | Olean-29-al, 13,28-epoxy-3-((O-beta-D-glucopyranosyl-(1-3)-O-(beta-D-xylopyranosyl-(1-2))-O-beta-D-glucopyranosyl-(1-4)-O-(beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)oxy)-16-hydroxy-, (3-beta,16-alpha,20-beta)- | NSC 104 |
| CAS No. | 8047-15-2 |
| PubChem CID | 198016 |
Synthetic Route by SureRoute
2. ACEHDM874 Molecular Building Block Synthetic Route
(3S,4aR,6aR,6bS,8R,11S,12aR,14aR,14bR)-3-(((2S,3R,4S,5S)-5-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-3-(((2S,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-8-hydroxy-4,4,6a,6b,11,14b-hexamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picene-11-carbaldehyde
(3S,4aR,6aR,6bS,8R,8aS,11S,12aR,12bS,14aR,14bR)-3-(((2S,3R,4S,5S)-5-(((2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-8-hydroxy-4,4,6a,6b,11,14b-hexamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picene-11-carbaldehyde
(2S,3R,4R,5R,6S)-2-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(((3S,4S,5R,6S)-4-hydroxy-6-(((3S,4aR,6aR,6bS,8R,8aS,11S,12aR,12bS,14aR,14bR)-8-hydroxy-11-(hydroxymethyl)-4,4,6a,6b,11,14b-hexamethyloctadecahydro-1H,9H-12b,8a-(epoxymethano)picen-3-yl)oxy)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol