Account (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
- Catalog No. :
- ACPZNE950
- CAS No. :
- 23643-61-0
- Molecular Formula :
- C52H84O22
- Molecular Weight :
- 1061.22
IUPAC Name:(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
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| Molecular Formula | C52H84O22 |
| Molecular Weight | 1061.22 |
| SMILES | CC1(C)[C@@H](O[C@@H]2OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3CC[C@]45OC[C@@]6(CC[C@](C)(C=O)C[C@H]64)[C@H](O)C[C@@]5(C)[C@]3(C)CC[C@@H]12 |
| InChI Key | JXTOWLUQSHIIDP-VKKSEJOZSA-N |
| Synonym | DeglucocyclaMin I;Saxifragifolin B;Deglucocyclamin;LTS 4;ardisiacrispin A;Oleanan-29-al,13,28-epoxy-3-[(O-b-D-glucopyranosyl-(12)-O-[O-b-D-xylopyranosyl-(12)-b-D-glucopyranosyl-(14)]-a-L-arabinopyranosyl)oxy]-16-hydroxy-, (3b,16a,20b)-;Oleanan-29-al, 13,28-epoxy-3-[(O-β-D-glucopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-β-D-glucopyranosyl-(1→4)]-α-L-arabinopyranosyl)oxy]-16-hydroxy-, (3β,16α,20β)-;ardisiacrispin A USP/EP/BP |
| CAS No. | 23643-61-0 |
| PubChem CID | 10328746 |
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. ACPZNE950 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
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