Account methyl (2S,4S,E)-3-ethylidene-4-(2-(2-((3S,4aS,9S,10S,12R,15R,E)-4-ethylidene-15-methyl-6,14-dioxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,10,11,12-octahydro-3H,8H,14H-9,12-methanopyrano[3,4-c][1,7]dioxacyclododecin-10-yl)propoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate
- Catalog No. :
- ACSHQI531
- CAS No. :
- 97763-17-2
- Molecular Formula :
- C43H60O22
- Molecular Weight :
- 928.93
IUPAC Name:methyl (2S,4S,E)-3-ethylidene-4-(2-(2-((3S,4aS,9S,10S,12R,15R,E)-4-ethylidene-15-methyl-6,14-dioxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,10,11,12-octahydro-3H,8H,14H-9,12-methanopyrano[3,4-c][1,7]dioxacyclododecin-10-yl)propoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate
![methyl (2S,4S,E)-3-ethylidene-4-(2-(2-((3S,4aS,9S,10S,12R,15R,E)-4-ethylidene-15-methyl-6,14-dioxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,10,11,12-octahydro-3H,8H,14H-9,12-methanopyrano[3,4-c][1,7]dioxacyclododecin-10-yl)propoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (2S,4S,E)-3-ethylidene-4-(2-(2-((3S,4aS,9S,10S,12R,15R,E)-4-ethylidene-15-methyl-6,14-dioxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,10,11,12-octahydro-3H,8H,14H-9,12-methanopyrano[3,4-c][1,7]dioxacyclododecin-10-yl)propoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate |
|---|---|
| IUPAC Name | methyl (2S,4S,E)-3-ethylidene-4-(2-(2-((3S,4aS,9S,10S,12R,15R,E)-4-ethylidene-15-methyl-6,14-dioxo-3-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4,4a,5,6,9,10,11,12-octahydro-3H,8H,14H-9,12-methanopyrano[3,4-c][1,7]dioxacyclododecin-10-yl)propoxy)-2-oxoethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate |
| MDL No. | MFCD10566640 |
| Molecular Formula | C43H60O22 |
| Molecular Weight | 928.93 |
| SMILES | C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OCC(C)[C@@H]1C[C@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)/C(=C/C)[C@@H]3CC(=O)OC[C@@H]1[C@H]2C |
| InChI Key | GZBCQRQJJVIXDD-BKWVLOCKSA-N |
| Synonym | Jasmoside;2H-Pyran-4-acetic acid, 3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-[4-ethylidene-3-(β-D-glucopyranosyloxy)-4,4a,5,6,9,10,11,12-octahydro-15-methyl-6,14-dioxo-9,12-methano-3H,8H,14H-pyrano[3,4-c][1,7]dioxacyclododecin-10-yl]propyl ester (9CI) |
| CAS No. | 97763-17-2 |
Synthetic Route by SureRoute
2. ACSHQI531 Molecular Building Block Synthetic Route
Jasminin
Nudifloside B
methyl (2S,4S,E)-4-(2-(((1S,2S,3S,4R)-4-(1,3-dihydroxypropan-2-yl)-3-((2-((2S,4S,E)-3-ethylidene-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-4-yl)acetoxy)methyl)-2-methylcyclopentyl)oxy)-2-oxoethyl)-3-ethylidene-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydro-2H-pyran-5-carboxylate