Account (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
- Catalog No. :
- ACWOUC577
- CAS No. :
- 112766-96-8
- Molecular Formula :
- C53H86O22
- Molecular Weight :
- 1075.25
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | - |
| Molecular Formula | C53H86O22 |
| Molecular Weight | 1075.25 |
| SMILES | C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CO[C@@H](O[C@H]4CC[C@]5(C)[C@H]6CCC78OCC9(CC[C@](C)(C=O)C[C@H]97)[C@H](O)C[C@@]8(C)[C@]6(C)CC[C@H]5C4(C)C)[C@H](O[C@@H]4OC(CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI Key | ZDIHSHLFPFGAGP-GRWMUYEGSA-N |
| Synonym | Ardisiacrispin B | E88700 | 3beta-O-(alpha-L-Rhamnopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-(O-beta-D-glucopyranosyl-(1-2))-alpha-L-arabinopyranosyl)-16alpha-hydroxy-13beta,28-epoxyolean-30-al | Oleanan-29-al, 3-((O-6-deoxy-alpha-L-mannopyranosyl-(1- |
| CAS No. | 112766-96-8 |
| PubChem CID | 194981 |
Synthetic Route by SureRoute
2. ACWOUC577 Molecular Building Block Synthetic Route
(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
Saponin
(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