(1alpha,2beta,5alpha,8alpha,10alpha)-1,10-Epoxy-2-hydroxy-3,7(11)-guaiadien-12,8-olide
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL501119 | |
| PubChem: | 11299991 | |
| IUPAC: | (1R,3R,5S,11S,14R)-14-hydroxy-3,8,12-trimethyl-2,6-dioxatetracyclo[9.3.0.01,3.05,9]tetradeca-8,12-dien-7-one | |
| Standard InChI: | InChI=1S/C15H18O4/c1-7-4-12(16)15-10(7)5-9-8(2)13(17)18-11(9)6-14(15,3)19-15/h4,10-12,16H,5-6H2,1-3H3/t10-,11-,12+,14+,15+/m0/s1 | |
| Standard InChI Key: | QKIQAUSGMKJYFS-CWFCOSEVSA-N | |
| SMILES: | CC1=C2C[C@H]3C(=C[C@H]([C@]43[C@@](C[C@@H]2OC1=O)(O4)C)O)C | |
Molecular propeties
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| AlogP: | 1.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 4 | |
| Molecular Weight: | 262.12 | |
| Topological polar surface area: | 59.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 15 | |