Account (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5S,6S)-5-(((2S,3R,4S,5R)-3,5-Dihydroxy-4-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-5-(((E)-3-(3,4,5-trimethoxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
- Catalog No. :
- ACHVSF976
- CAS No. :
- 79103-90-5
- Molecular Formula :
- C75H112O36
- Molecular Weight :
- 1589.69
IUPAC Name:(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5S,6S)-5-(((2S,3R,4S,5R)-3,5-dihydroxy-4-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-5-(((E)-3-(3,4,5-trimethoxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
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Product Information
| Product Name | (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5S,6S)-5-(((2S,3R,4S,5R)-3,5-Dihydroxy-4-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-5-(((E)-3-(3,4,5-trimethoxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid |
|---|---|
| IUPAC Name | (2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5S,6S)-5-(((2S,3R,4S,5R)-3,5-dihydroxy-4-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-5-(((E)-3-(3,4,5-trimethoxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid |
| MDL No. | - |
| Molecular Formula | C75H112O36 |
| Molecular Weight | 1589.69 |
| SMILES | O=C([C@]12CCC(C)(C[C@]1(C3=CC[C@@]([H])([C@](C)([C@]3(CO)CC2)CC4)[C@](C)([C@@]4([C@](C)(C(O)=O)[C@H]5O[C@@H]([C@H](O)[C@H]6O)O[C@@H]([C@H]6O)CO)[H])C[C@@H]5O)[H])C)O[C@H]7[C@H](O[C@@H]([C@@H]([C@H](O[C@H]8[C@H](O)[C@@](CO)(CO8)O)[C@H]9O[C@@H]([C@@H]([C@H]%10O[C@@H]([C@H](O)[C@H]%11O)OC[C@@H]%11O)O)OC[C@H]%10O)O)O[C@H]9C)[C@H]([C@H]([C@H](O7)C)OC(/C=C/C%12=CC(OC)=C(C(OC)=C%12)OC)=O)O |
| InChI Key | HDLNHPZHTNFCNP-JJEFWQELSA-N |
| Synonym | Onjisaponin F;Polygalasaponin XXXI;Onjisaponin F Polygalasaponin XXXI;Olean-12-ene-23,28-dioic acid, 3-(β-D-glucopyranosyloxy)-2,27-dihydroxy-, 28-[O-D-apio-β-D-furanosyl-(1→3)-O-[O-α-L-arabinopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)]-O-6-deoxy-α-L-mannopyranosyl-(1→2)-6-deoxy-4-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl]-β-D-galactopyranosyl] ester, (2β,3β...;Polygalasaponin XXX;(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5R,6R)-3-(((2S,3R,4S,5S,6S)-5-(((2S,3R,4S,5R)-3,5-Dihydroxy-4-(((2S,3R,4S,5S)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyl-5-(((E)-3-(3,4,5-trimethoxyphenyl)acryloyl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R, |
| CAS No. | 79103-90-5 |
| PubChem CID | 10701737 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P280-P305+P351+P338
Synthetic Route by SureRoute
2. ACHVSF976 Molecular Building Block Synthetic Route
Onjisaponin Z
(2S,3R,4S,4aR,6aR,6bR,8aS,12aS,14aR,14bR)-8a-((((2S,3R,4S,5S,6R)-3-(((2S,3R,4S,5R,6S)-5-(((2S,3R,4R,5R)-3,4-dihydroxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5-(((E)-3-(4-methoxyphenyl)acryloyl)oxy)-6-methyl-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)carbonyl)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-4-carboxylic acid
(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 (4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-(((2S,3R,4S,5S)-3-(((2S,3R,4R,5S,6S)-4-(((2S,3R,4S,5R)-5-(((2R,3R,4R,5S,6R)-5-(((2S,3R,4S,5S,6R)-4,5-dihydroxy-3-(((E)-3-(3-hydroxy-4-methoxyphenyl)acryloyl)oxy)-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-3,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylate