Asiatic acid
10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Also Known As: Asiatic acid|Esculentic acid|Esculentic acid (Diplazium)|2,24-Dihydroxyursolic acid|2alpha,23-Dihydroxyursolic acid|KST-1A4952|2,3,24-Trihydroxy-12-ursen-28-oic acid|AC-6027|2,3,23-trihydroxyurs-12-en-28-oic acid|10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid|I06-0516|B0005-464774|Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2alpha,3beta,4beta)-|(1s,2r,4as,6as,6br,8ar,9r,10r,11r,12ar,14bs)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1h-picene-4a-carboxylic acid|Asiaticacid:Urs-12-en-28-oicacid, 2,3,23-trihydroxy-, (2a,3b,4a)-,|Urs-12-en-28-oic acid, 2,3,23-trihydroxy-, (2.alpha.,3.beta.,4.alpha.)-|(1S,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,11R,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid|10,11-DIHYDROXY-9-(HYDROXYMETHYL)-1,2,6A,6B,9,12A-HEXAMETHYL-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12,12A,12B,13,14B-ICOSAHYDROPICENE-4A-CARBOXYLIC ACID
| Molecular Formula | C30H48O5 |
|---|---|
| Molecular Weight | 488.3502 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.3502 |
| Monoisotopic Mass | 488.3502 |
| Heavy Atoms | 35 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 76964-07-3 |
|---|---|
| SMILES | CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)O |
| InChIKey | JXSVIVRDWWRQRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Asiatic acid (CAS 76964-07-3), with molecular formula C30H48O5 and molecular weight 488.3502 g/mol. IUPAC: 10,11-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid.
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