Account Proprotogracillin
- Catalog No. :
- ACWCCU874
- CAS No. :
- 78229-03-5
- Molecular Formula :
- C45H72O17
- Molecular Weight :
- 885.05
IUPAC Name:(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4S,6aR,6bS,8aS,8bS,11aS,12aS,12bS)-6a,8a,9-trimethyl-10-((R)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | Proprotogracillin |
|---|---|
| IUPAC Name | (2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(((4S,6aR,6bS,8aS,8bS,11aS,12aS,12bS)-6a,8a,9-trimethyl-10-((R)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol |
| Molecular Formula | C45H72O17 |
| Molecular Weight | 885.05 |
| SMILES | O[C@H]1[C@H](O)[C@H](O[C@@H](O[C@H]2CC[C@@]3([C@]4(CC[C@@]5([C@@]6([C@@](OC(CC[C@H](CO[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)C)=C6C)(C[C@]5([C@@]4(CC=C3C2)[H])[H])[H])[H])C)[H])C)[C@@H]1O[C@H]8[C@H](O)[C@H](O)[C@@H](O)[C@@H](O8)C)CO |
| InChI Key | BCJUWEDZWVPSML-YRAVHJRXSA-N |
| Synonym | (3β,25R)-26-(β-D-Glucopyranosyloxy)furosta-5,20(22)-dien-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside;Furostan,β-D-glucopyranoside deriv.;Proprotogracillin;β-D-Glucopyranoside, (3β,25R)-26-(β-D-glucopyranosyloxy)furosta-5,20(22)-dien-3-yl 2-O-(6-deoxy-α-L-mannopyranosyl)- |
| CAS No. | 78229-03-5 |
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. ACWCCU874 Molecular Building Block Synthetic Route
(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-(((6aR,6bS,8aS,8bS,11aS,12aS,12bS)-6a,8a,9-trimethyl-10-((R)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-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,3R,4S,5R,6R)-3-Hydroxy-2-(hydroxymethyl)-5-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-(((4S,6aR,6bS,8aS,8bS,11aS,12aS,12bS)-6a,8a,9-trimethyl-10-((R)-3-methyl-4-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)butyl)-3,4,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-1H-naphtho[2',1':4,5]indeno[2,1-b]furan-4-yl)oxy)tetrahydro-2H-pyran-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
Parisyunnanoside B