(4aS,6aR,6aS,6bR,10S,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Base Information

• Chemical Name: (4aS,6aR,6aS,6bR,10S,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
• CAS No.: 141544-45-8
• Molecular Formula: C67H108 O31
• Molecular Weight: 1409.57
• Wikidata: Q105246836
• Mol file: 141544-45-8.mol

Synonyms:oleanolic acid 3-O-beta-D-xylopyranosyl(1-4)-beta-D-xylopyranosyl(1-3)-beta-D-xylopyranosyl(1-4)-alpha-L-rhamnopyranosyl(1-3)-beta-D-xylopyranosyl(1-3)-alpha-L-rhamnopyranosyl(1-2)-arabinopyranoside;triploside A

Chemical Property of (4aS,6aR,6aS,6bR,10S,12aR,14bR)-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris[[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-4-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.5g/cm³
• XLogP3: -2.3
• Hydrogen Bond Donor Count: 16
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 15
• Exact Mass: 1408.6874566
• Heavy Atom Count: 98
• Complexity: 2790

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C(C(C(O1)OC2COC(C(C2OC3C(C(C(CO3)O)O)O)OC4C(C(C(C(O4)C)OC5C(C(C(CO5)O)O)O)OC6C(C(C(CO6)O)O)O)OC7C(C(C(CO7)O)O)O)OC8CCC9(C(C8(C)C)CCC1(C9CC=C2C1(CCC1(C2CC(CC1)(C)C)C(=O)O)C)C)C)O)O)O
• Isomeric SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CO[C@H]([C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O[C@@H]5[C@@H]([C@H]([C@@H](CO5)O)O)O)O[C@@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O[C@@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O[C@H]8CC[C@@]9([C@H]1CC=C2[C@H]3CC(CC[C@@]3(CC[C@]2([C@@]1(CCC9C8(C)C)C)C)C(=O)O)(C)C)C)O)O)O