Account (1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-Acetoxy-13-hydroxy-1,6a,8,10a-tetramethyl-8-((R)-3-methylbutan-2-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid
- Catalog No. :
- ACPDFX870
- CAS No. :
- 260979-95-1
- Molecular Formula :
- C38H60O12
- Molecular Weight :
- 708.89
IUPAC Name:(1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-acetoxy-13-hydroxy-1,6a,8,10a-tetramethyl-8-((R)-3-methylbutan-2-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid
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Product Information
| Product Name | (1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-Acetoxy-13-hydroxy-1,6a,8,10a-tetramethyl-8-((R)-3-methylbutan-2-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid |
|---|---|
| IUPAC Name | (1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-acetoxy-13-hydroxy-1,6a,8,10a-tetramethyl-8-((R)-3-methylbutan-2-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid |
| MDL No. | MFCD34167484 |
| Molecular Formula | C38H60O12 |
| Molecular Weight | 708.89 |
| SMILES | OC1OC[C@]2(C)[C@@](CC[C@@]3([H])C4=CC[C@]([C@@H]5C(O)=O)(C)[C@]3(C)CC[C@@]5([C@@H](C(C)C)C)C)([H])[C@@]14C[C@@H](OC(C)=O)[C@@H]2O[C@]([H])(O[C@H](CO)[C@H]6O)[C@H](O)[C@H]6O |
| InChI Key | IAOFPTKYKOAKGZ-CRWQHXLTSA-N |
| Synonym | 4H-1,4a-Propano-2H-phenanthro[1,2-c]pyran-7-carboxylic acid, 14-(acetyloxy)-8-[(1R)-1,2-dimethylpropyl]-15-(β-D-glucopyranosyloxy)-1,6,6a,7,8,9,10,10a,10b,11,12,12a-dodecahydro-4-hydroxy-1,6a,8,10a-tetramethyl-, (1S,4aR,6aS,7R,8R,10aR,10bR,12aS,14R,15R)-;(1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-acetoxy-13-hydroxy-1,6a,8,10a-tetramethyl-8-((R)-3-methylbutan-2-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-1H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid;enfumafungin;(1S,2R,3R,4aR,6aS,7R,8R,10aR,10bR,12aS)-3-Acetoxy-13-hydroxy-1,6a,8,10a-tetramethyl-8-((R)-3-methylbutan-2-yl)-2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,3,4,6,6a,7,8,9,10,10a,10b,11,12,12a-tetradecahydro-2H-1,4a-(methanooxymethano)chrysene-7-carboxylic acid;(1R,5S,6R,7R,10R,11R,14S,15S,20R,21R)-20-(acetyloxy)-18-hydroxy-5,7,10,15-tetramethyl-7-[(2R)-3-methylbutan-2-yl]-21-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-17-oxapentacyclo[13.3.3.01,1?.02,11.0?,1?]henicos-2-ene-6-carboxylic acid |
| CAS No. | 260979-95-1 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301-H311-H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACPDFX870 Molecular Building Block Synthetic Route
(4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-4-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6a-(hydroxymethyl)-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid
11-acetoxy-3-((5-((5-((3,5-dihydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-12-yl 3-methylbutanoate
(2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-10-(((2S,3R,4R,5R)-3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-11-hydroxy-9-(hydroxymethyl)-2-(methoxycarbonyl)-2,6a,6b,9,12