Account (2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (3S,3aS,4R,8aR,9R,11aS,13aR,13bR)-4-hydroxy-3a,13a,13b-trimethyl-6-oxo-3,9-di(prop-1-en-2-yl)octadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepine-11a(1H)-carboxylate
- Catalog No. :
- ACPQIX014
- CAS No. :
- 89354-01-8
- Molecular Formula :
- C48H74O19
- Molecular Weight :
- 955.10
IUPAC Name:(2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (3S,3aS,4R,8aR,9R,11aS,13aR,13bR)-4-hydroxy-3a,13a,13b-trimethyl-6-oxo-3,9-di(prop-1-en-2-yl)octadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepine-11a(1H)-carboxylate
![(2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (3S,3aS,4R,8aR,9R,11aS,13aR,13bR)-4-hydroxy-3a,13a,13b-trimethyl-6-oxo-3,9-di(prop-1-en-2-yl)octadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepine-11a(1H)-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (3S,3aS,4R,8aR,9R,11aS,13aR,13bR)-4-hydroxy-3a,13a,13b-trimethyl-6-oxo-3,9-di(prop-1-en-2-yl)octadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepine-11a(1H)-carboxylate |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (3S,3aS,4R,8aR,9R,11aS,13aR,13bR)-4-hydroxy-3a,13a,13b-trimethyl-6-oxo-3,9-di(prop-1-en-2-yl)octadecahydrocyclopenta[7,8]phenanthro[10,1-bc]oxepine-11a(1H)-carboxylate |
| Molecular Formula | C48H74O19 |
| Molecular Weight | 955.10 |
| SMILES | C=C(C)[C@@H]1CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)[C@H](CC4OC(=O)C[C@@H](O)[C@]5(C)C4[C@@]3(C)CC[C@H]5C(=C)C)C12 |
| InChI Key | JVLBOZIUMGNKQW-WTPFMMGYSA-N |
| Synonym | Chiisanoside;Androstane-4-propanoic acid, 18-[(O-6-deoxy-α-L-mannopyranosyl-(1→4)-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosyl)oxy]-β,6-dihydroxy-4,9-dimethyl-3,15-bis(1-methylethenyl)-18-oxo-, ε-lactone, (βR,3α,4β,5β,6β,8α,9β,10α,13α,14β,15β)- |
| CAS No. | 89354-01-8 |
Synthetic Route by SureRoute
2. ACPQIX014 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-6-((((2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)methyl)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-(((2S,3R,4S,5S)-4,5-dihydroxy-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylate
Isochiisanoside
Pulsatilloside C