Gymnemic acid xi

Base Information

• Chemical Name: Gymnemic acid xi
• CAS No.: 147899-35-2
• Molecular Formula: C46H70 O14
• UNII: U06F13N5GR
• Nikkaji Number: J485.123D
• Wikidata: Q27290512

Synonyms:Gymnemic acid xi;Gymnemic acid xi, (+)-;UNII-U06F13N5GR;U06F13N5GR;Gymnemic acid xi (constituent of gymnema) [DSC];147899-35-2;beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,22,23-trihydroxy-21,28-bis(((2E)-2-methyl-1-oxo-2-buten-1-yl)oxy)olean-12-en-3-yl;Gymnemic acid xi (constituent of gymnema);Q27290512;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,22,23-TRIHYDROXY-21,28-BIS(((2E)-2-METHYL-1-OXO-2-BUTEN-1-YL)OXY)OLEAN-12-EN-3-YL

Chemical Property of Gymnemic acid xi

Chemical Property:

• XLogP3: 5.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 846.47655690
• Heavy Atom Count: 60
• Complexity: 1790

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC=C(C)C(=O)OCC12C(CC(C(C1O)OC(=O)C(=CC)C)(C)C)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C
• Isomeric SMILES: C/C=C(\C)/C(=O)OC[C@@]12[C@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)C)[C@@H]1CC([C@H]([C@@H]2O)OC(=O)/C(=C/C)/C)(C)C)C)O

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