Account (1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-Acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl benzoate
- Catalog No. :
- ACPHBW168
- CAS No. :
- 191729-44-9
- Molecular Formula :
- C44H62O14
- Molecular Weight :
- 814.97
IUPAC Name:(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl benzoate
![(1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-Acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl benzoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-Acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl benzoate |
|---|---|
| IUPAC Name | (1R,3aR,4aS,6aS,8S,10aS,10bS,11S,12S,12aS)-12-acetoxy-1-acetyl-8-(((2R,4R,5R,6R)-5-(((2S,3R,4R,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-10a,12a-dimethyltetradecahydro-1H-cyclopenta[1,2]phenanthro[1,10a-b]oxiren-11-yl benzoate |
| MDL No. | - |
| Molecular Formula | C44H62O14 |
| Molecular Weight | 814.97 |
| SMILES | CO[C@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]56O[C@@]57CC[C@@H](C(C)=O)[C@@]7(C)[C@H](OC(C)=O)[C@@H](OC(=O)C5=CC=CC=C5)[C@H]46)C3)C[C@H]2OC)O[C@H](C)[C@H]1O |
| InChI Key | HXIHLBDNTFYMIC-ROIFRVDESA-N |
| Synonym | (3beta,5alpha,11alpha,12beta,14beta,17alpha)-12-(Acetyloxy)-11-(benzoyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-beta-D-allopyranosyl)-3-O-methyl-beta-D-arabino-hexopyranosyl]oxy]-8,14-epoxypregnan-20-one;Tenacissimoside B;Teacissoside I;Tenacissoside I;Pregnan-20-one, 12-(acetyloxy)-11-(benzoyloxy)-3-[[2,6-dideoxy-4-O-(6-deoxy-3-O-methyl-β-D-allopyranosyl)-3-O-methyl-β-D-arabino-hexopyranosyl]oxy]-8,14-epoxy-, (3β,5α,11α,12β,14β,17α)-;Tenacissoside Impurity 2;Tenacissoside I, 10 mM in DMSO;Tecissoside I |
| CAS No. | 191729-44-9 |
| PubChem CID | 91973812 |
Synthetic Route by SureRoute
2. ACPHBW168 Molecular Building Block Synthetic Route
Tenacissoside X
(1-((6-((benzoyloxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.03,9]nonan-9-yl)methyl benzoate
(5a-((3-(benzoyloxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxy-5-methyltetrahydro-1H-3,4-dioxa-2,5-methanocyclobuta[cd]pentalen-1a1(3aH)-yl)methyl benzoate