Katonic acid
10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
Also Known As: Katonic acid|3-Epikatonic acid|Oprea1_015048|11-Deoxo-18beta-glycyrrhetic acid|3-Hydroxyolean-12-en-29-oic acid|3-Hydroxyolean-12-en-29-oic acid #|BAS 01279930|10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid|(2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid|10-Hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-eicosahydropicene-2-carboxylic acid|18-hydroxy-1,2,5,8,15,19,19-heptamethylpentacyclo[12.8.0.0<2,11>.0<5,10>.0<15, 20>]docos-11-ene-8-carboxylic acid
| Molecular Formula | C30H48O3 |
|---|---|
| Molecular Weight | 456.36035 g/mol |
| LogP | 7.5 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 456.36035 |
| Monoisotopic Mass | 456.36035 |
| Heavy Atoms | 33 |
| Complexity | 889.0 |
Chemical Identifiers
| CAS Number | 564-16-9 |
|---|---|
| SMILES | CC1(C2CCC3(C(C2(CCC1O)C)CC=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C |
| InChIKey | JZFSMVXQUWRSIW-UHFFFAOYSA-N |
Product Overview
Katonic acid (CAS 564-16-9), with molecular formula C30H48O3 and molecular weight 456.36035 g/mol. IUPAC: 10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid.
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