2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Chemical Structure Depiction of
2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
Compound characteristics
| Compound ID: | R092-0057 |
| Compound Name: | 2,7-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C19 H22 O6 |
| Smiles: | [H]C12CCC3(CC1(CC3=C)C(C1C3(C)C(C=CC12OC3=O)O)C(O)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.0513 |
| logD: | -2.4445 |
| logSw: | -1.068 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.215 |
| InChI Key: | IXORZMNAPKEEDV-UHFFFAOYSA-N |