01
Ingredients
[(1s,3r,4r,4as,8as)-3,4a,8,8-tetramethyl-5'-oxo-spiro[decalin-4,2'-tetrahydrofuran]-1-yl] acetate
C19H30O4
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- [(1s,3r,4r,4as,8as)-3,4a,8,8-tetramethyl-5'-oxo-spiro[decalin-4,2'-tetrahydrofuran]-1-yl] acetate
- Molecular Formula
- C19H30O4
- Molecular Weight
- No data
- Canonical SMILES
- CC1CC(C2C(CCCC2(C13CCC(=O)O3)C)(C)C)OC(=O)C
- Isomeric SMILES
- C[C@@H]1C[C@@H]([C@@H]2[C@@]([C@@]13CCC(=O)O3)(CCCC2(C)C)C)OC(=O)C
- InChI
- InChI=1S/C19H30O4/c1-12-11-14(22-13(2)20)16-17(3,4)8-6-9-18(16,5)19(12)10-7-15(21)23-19/h12,14,16H,6-11H2,1-5H3/t12-,14+,16+,18+,19-/m1/s1
- Oral Bioavailability
- 16.833
- Drug Likeness
- 0.688
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Source Herbs
herb ingredient2 Herbs