Account (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- Catalog No. :
- ACTVNL204
- CAS No. :
- 178064-13-6
- Molecular Formula :
- C46H74O17
- Molecular Weight :
- 899.08
IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
![(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| MDL No. | - |
| Molecular Formula | C46H74O17 |
| Molecular Weight | 899.08 |
| SMILES | C[C@]12[C@]34[C@@]([H])([C@@]5([C@@](OC[C@H]([C@]5(C)O)/C=C(C)\C)(C4)OC3)[H])CC[C@@]1([C@]6(C)[C@@]([H])(CC2)C([C@H](CC6)O[C@]7([C@H](O[C@@]8(O[C@H]([C@@H]([C@H]8O)O)CO)[H])[C@@H](O[C@@]9(O[C@H](CO)[C@H]([C@@H]([C@H]9O)O)O)[H])[C@H](CO7)O)[H])(C)C)[H] |
| InChI Key | ZOFQVMPJZHCDBS-MUUHSGPCSA-N |
| Synonym | Bascopasaponin C | 26FG38011G | Bascopasaponin C, (-)- | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,17R,20R)-16-hydroxy-2,6,6,10,16-pentamethyl-17-(2-met |
| CAS No. | 178064-13-6 |
| PubChem CID | 21599443 |
Safety Data
- Pictogram
- Signal Word
- Danger
- Hazard Statement(s)
- H301+H311+H331
- Precautionary Statement(s)
- P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P361+P364-P403+P233-P405-P501
Synthetic Route by SureRoute
2. ACTVNL204 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-3-(((2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-5-hydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Bacoside A2
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5R,6R)-3,5-Dihydroxy-2-(((1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methylprop-1-en-1-yl)hexadecahydro-1H,6H-4a,6a-methanonaphtho[1,2-h]pyrano[2,3-c]isochromen-10-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol