Account Soladulcoside A
- Catalog No. :
- ACQJSI487
- CAS No. :
- 137031-53-9
- Molecular Formula :
- C39H62O15
- Molecular Weight :
- 770.91
IUPAC Name:(2aS,3'S,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aR,12R,12aS,12bR)-4-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3',12-dihydroxy-5',6a,8a,9-tetramethylicosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6'(3'H)-one
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Product Information
| Product Name | Soladulcoside A |
|---|---|
| IUPAC Name | (2aS,3'S,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aR,12R,12aS,12bR)-4-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3',12-dihydroxy-5',6a,8a,9-tetramethylicosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-6'(3'H)-one |
| Molecular Formula | C39H62O15 |
| Molecular Weight | 770.91 |
| SMILES | C[C@@H]1C[C@H](O)[C@@]2(OC1=O)O[C@H]1[C@H](O)[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C |
| InChI Key | BVALVRBXQYLPOW-VSLASJAISA-N |
| Synonym | soladulcoside A;(22R,25R)-15α,23α-Dihydroxy-3β-[[2-O-(α-L-rhamnopyranosyl)-β-D-glucopyranosyl]oxy]-5α-spirostan-26-one;Spirostan-26-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-15,23-dihydroxy-, (3β,5α,15α,23S,25R)- (9CI);Spirostan-26-one, 3-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-15,23-dihydroxy-, (3β,5α,15α,23S,25R)- |
| CAS No. | 137031-53-9 |
Synthetic Route by SureRoute
2. ACQJSI487 Molecular Building Block Synthetic Route
rel-[6-[(β-D-Glucopyranosyloxy)methyl]octahydro-5-hydroxy-9-(1-hydroxy-1-methylethyl)-5a-methyl-1,4-methano-2H-cyclopent[d]oxepin-2-on
(2S,3R,4S,5S,6R)-2-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3-diyl didodecanoate
(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