Primary Record
Petersaponin III
- In stock
- 6,847 g
- Purity
- 98.7 %
- CAS
- 272776-00-8
Compound Identifiers & Properties
- CAS
- 272776-00-8
- PubChem CID
- 10820233
- SMILES
- C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@]23[C@@H](C[C@@]4(C(=CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)C)C)[C@@H]2CC([C@H]([C@@H]3OC(=O)C)OC(=O)C1=CC=CC=C1)(C)C)C)O)O)O)O
- Canonical SMILES
- CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@]21CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Names & Synonyms
- Petersaponin III
- RefChem:172117
- CID10820233
- CID 10820233
- J1.319.247B
- (2S,3S,4S,5R,6R)-6-(((3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-10-benzoyloxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy)-3-hydroxy-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid
- (2S,3S,4S,5R,6R)-6-[[(3S,4Ar,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-10-benzoyloxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
- (2S,3S,4S,5R,6R)-6-{[(3S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-(acetyloxy)-10-(benzoyloxy)-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-8a-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-3-hydroxy-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxane-2-carboxylic acid
- 16alpha-Hydroxy-22alpha-acetoxy-21beta-(benzoyloxy)-28-(alpha-L-rhamnopyranosyloxy)-5alpha-oleana-12-ene-3beta-yl 2-O-beta-D-galactopyranosyl-3-O-beta-D-xylopyranosyl-beta-D-glucopyranosiduronic acid
- 272776-00-8