Gymnemic acid XIII

Base Information

• Chemical Name: Gymnemic acid XIII
• CAS No.: 155023-61-3
• Molecular Formula: C41H66 O13
• UNII: 7LJ084DV2X
• Wikidata: Q27268523

Synonyms:Gymnemic acid XIII;UNII-7LJ084DV2X;7LJ084DV2X;155023-61-3;Gymnemic acid XIII (constituent of gymnema) [DSC];beta-D-Glucopyranosiduronic acid, (3beta,4alpha,16beta,21beta,22alpha)-16,21,22,23-tetrahydroxy-28-((2S)-2-methyl-1-oxobutoxy)olean-12-en-3-yl;Gymnemic acid XIII (constituent of gymnema);Q27268523;.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,4.ALPHA.,16.BETA.,21.BETA.,22.ALPHA.)-16,21,22,23-TETRAHYDROXY-28-((2S)-2-METHYL-1-OXOBUTOXY)OLEAN-12-EN-3-YL

Chemical Property of Gymnemic acid XIII

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 766.45034216
• Heavy Atom Count: 54
• Complexity: 1480

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C(=O)OCC12C(CC(C(C1O)O)(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: CC[C@H](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)O)(C)C)C)O

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