Account Gynosaponin I
- Catalog No. :
- ACDVBZ780
- CAS No. :
- 1207861-69-5
- Molecular Formula :
- C42H72O12
- Molecular Weight :
- 769.03
IUPAC Name:(2S,3R,4R,5R,6S)-2-(((2S,3R,4S,5S,6R)-2-(((S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
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Product Information
| Product Name | Gynosaponin I |
|---|---|
| IUPAC Name | (2S,3R,4R,5R,6S)-2-(((2S,3R,4S,5S,6R)-2-(((S)-2-((3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol |
| MDL No. | MFCD10566702 |
| Molecular Formula | C42H72O12 |
| Molecular Weight | 769.03 |
| SMILES | C[C@]12[C@@]3(C)[C@@]([H])([C@]4(C)[C@@]([H])(CC3)C([C@H](CC4)O)(C)C)C[C@H]([C@@]1([C@]([H])(CC2)[C@@](C)(O[C@H]5[C@H](O[C@]6([C@H](O)[C@H](O)[C@H]([C@@H](O6)C)O)[H])[C@@H](O)[C@@H]([C@H](O5)CO)O)CC/C=C(C)\C)[H])O |
| InChI Key | KRPNOGQPDNCBAB-LJLLDEJFSA-N |
| Synonym | 2)]-beta-glucopyranoside;(3beta,12beta,20S)-Trihydroxydammar-24-ene 20-O-[alpha-rhamnopyranosyl-(1-2)]-beta-glucopyranoside;β-D-Glucopyranoside, (3β,12β)-3,12-dihydroxydammar-24-en-20-yl 2-O-(6-deoxy-α-L-mannopyranosyl)-;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol;(3β12β)-312-Dihydroxydammar-24-en-20-yl2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside |
| CAS No. | 1207861-69-5 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACDVBZ780 Molecular Building Block Synthetic Route
(2S,3R,4S,5S,6R)-2-(((S)-2-((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-6-(((2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,12-dihydroxy-4,4,8,10,14-pentamethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-6-methylhept-5-en-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-2-(((3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-Dihydroxy-4,4,8,10,14-pentamethyl-17-((S)-6-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hept-5-en-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-6-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
20-Gluco-ginsenoside-Rf