Account β-Tomatine
- Catalog No. :
- ACGPCO572
- CAS No. :
- 17406-46-1
- Molecular Formula :
- C45H75NO17
- Molecular Weight :
- 902.09
IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(((2aS,4S,5'S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5',6a,8a,9-tetramethyloctadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | β-Tomatine |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5S,6R)-2-(((2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(((2aS,4S,5'S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5',6a,8a,9-tetramethyloctadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| Molecular Formula | C45H75NO17 |
| Molecular Weight | 902.09 |
| SMILES | C[C@@]12[C@]([H])([C@]([H])(C[C@]1([C@@]([H])([C@@]3(CC2)[H])CC[C@@]4([H])C[C@@H](O[C@H](O[C@H](CO)[C@@H]5O[C@@H]([C@H](O[C@H](O[C@H](CO)[C@H]6O)[C@H](O)[C@H]6O)[C@@H](O)[C@@H]7O)O[C@@H]7CO)[C@H](O)[C@H]5O)CC[C@@]43C)[H])O[C@]89NC[C@@H](C)CC9)[C@@H]8C |
| InChI Key | DMUPZSDWJVULSC-MMQVRIEESA-N |
| Synonym | beta-D-Galactopyranoside, (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-;β-Tomatine;Beta-Tomatine |
| CAS No. | 17406-46-1 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319
- Precautionary Statement(s)
- P264-P270-P280-P301+P312+P330-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362+P364-P501
Synthetic Route by SureRoute
2. ACGPCO572 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-(((2aS,4S,5'S,6aS,6bS,8aS,8bR,9S,10S,11aS,12aS,12bR)-5',6a,8a,9-tetramethyloctadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-yl)oxy)tetra
(2S,2'S,3R,3'R,4R,4'R,5R,5'R,6S,6'S)-6,6'-(((2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-6-(((4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-yl)oxy)tetrahydro-2H-pyran-3,5-diyl)bis(oxy))bis(2-methyltetrahydro-2H-pyran-3,4,5-triol)
(2S,3R,4S,5S,6R)-2-(((2R,3S,4S,5R,6R)-3-Hydroxy-2-(hydroxymethyl)-6-(((4S,5'S,6aR,6bS,8aS,8bR,9S,10S,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-yl)oxy)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol