Euscaphic Acid
(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Also Known As: Euscaphic acid|Jacarandic acid|Acuminatic acid|Euscophic acid|Tormentic acid|Euscapic acid|euscaphicacid|2alpha-acetyl tormentic acid|WLZ4751|KST-1A5439|HY-N2566|NP6519|TN1134|(2alpha,3beta)-Isomer OF euscaphic acid|(2|A,3|A)-2,3,19-trihydroxyurs-12-en-28-oic acid|SID:505376953|(1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid|2alpha,3alpha,19-Trihydroxyurs-12-en-28-oic acid|(2alpha,3alpha)-2,3,19-trihydroxyurs-12-en-28-oic acid
| Molecular Formula | C30H48O5 |
|---|---|
| Molecular Weight | 488.3502 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 488.3502 |
| Monoisotopic Mass | 488.3502 |
| Heavy Atoms | 35 |
| Complexity | 956.0 |
Chemical Identifiers
| CAS Number | 53320-85-7 |
|---|---|
| SMILES | C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@H](C5(C)C)O)O)C)C)[C@@H]2[C@]1(C)O)C)C(=O)O |
| InChIKey | OXVUXGFZHDKYLS-QUFHAEKXSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Euscaphic Acid (CAS 53320-85-7), with molecular formula C30H48O5 and molecular weight 488.3502 g/mol. IUPAC: (1R,2R,4aS,6aR,6aS,6bR,8aR,10S,11R,12aR,14bS)-1,10,11-trihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid.
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