Account (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
- Catalog No. :
- ACTRKH248
- CAS No. :
- 94987-10-7
- Molecular Formula :
- C42H72O14
- Molecular Weight :
- 801.02
IUPAC Name:(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
![(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
|---|---|
| IUPAC Name | (2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-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 | C42H72O14 |
| Molecular Weight | 801.02 |
| SMILES | CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)C[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C |
| InChI Key | LTJZMSTVPKBWKB-XUYZQZLKSA-N |
| Synonym | E88797 | CS-0140304 | MS-31474 | beta-D-Glucopyranoside, (2alpha,3beta,12beta,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl- | Gypenoside LI | AKOS040761812 | (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17 |
| CAS No. | 94987-10-7 |
| PubChem CID | 76317290 |
Synthetic Route by SureRoute
2. ACTRKH248 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-2-(((2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-Dihydroxy-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-((S)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4S,5S,6R)-2-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-2-(((3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-17-((R)-2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol