Account ((2R,3S,4S,5R,6S)-6-(((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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate
- Catalog No. :
- ACSDXB600
- CAS No. :
- 382148-47-2
- Molecular Formula :
- C46H74O20S
- Molecular Weight :
- 979.15
IUPAC Name:((2R,3S,4S,5R,6S)-6-(((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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate
![((2R,3S,4S,5R,6S)-6-(((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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | ((2R,3S,4S,5R,6S)-6-(((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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate |
|---|---|
| IUPAC Name | ((2R,3S,4S,5R,6S)-6-(((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)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)methyl hydrogen sulfate |
| MDL No. | MFCD07779135 |
| Molecular Formula | C46H74O20S |
| Molecular Weight | 979.15 |
| SMILES | CC(C)=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@H](CC[C@@H]2[C@@]5(C)CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O[C@@H]7O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3[C@@]1(C)O |
| InChI Key | SKFWOYHZBNAJGA-YAOMZRCFSA-N |
| Synonym | BACOPASIDE I(SH);Bacopaside I 382148-47-2;Pseudojujubogenin 3-O-[α-L-arabinofuranosyl-(1→2)-[6-O-sulfo-β-D-glucopyranosyl-(1→3)]-α-L-arabinopyranoside];α-L-Arabinopyranoside, (1S,2R,4aR,6aS,6bR,8aR,10S,12aR,12bR,14aR,14bS)-hexadecahydro-1-hydroxy-1,6b,9,9,12a-pentamethyl-2-(2-methyl-1-propen-1-yl)-4a,6a-methano-1H,6H-phenanthro[2,1-d]pyrano[2,3-b]pyran-10-yl O-α-L-arabinofuranosyl-(1→2)-O-[6-O-sulfo-β-D-glucopyranosyl-(1→3)]-;inhibit,Inhibitor,Bacopaside I;Bacopaside I(AS);Bacopaside I-RM;Bacopaside I, 10 mM in DMSO |
| CAS No. | 382148-47-2 |
| PubChem CID | 21599442 |
Synthetic Route by SureRoute
2. ACSDXB600 Molecular Building Block Synthetic Route
(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-(((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