Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C22H30O5
- Molecular weight
- 374.5 g/mol
- IUPAC name
- [(2R,3R,3aR,5aR,8S)-9-formyl-8-hydroxy-3a,5a-dimethyl-1-oxo-3-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-benzo[f]azulen-2-yl] acetate
- SMILES
- CC(C)[C@H]1[C@H](C(=O)C2=CC3=C([C@H](CC[C@]3(CC[C@]12C)C)O)C=O)OC(=O)C
- InChIKey
- KCPNSIPCHJTGHJ-MYHSIESUSA-N
- XLogP
- 3.7
- Polar surface area
- 80.7 Ų
- H-bond donors
- 1
- H-bond acceptors
- 5
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- aldehydes
- Mass
- 374.20932406
Show 3 more facts
- isomeric SMILES
- O=C\C3=C2/C=C1/C(=O)[C@H](OC(=O)C)[C@@H]([C@]1(CC[C@@]2(CC[C@@H]3O)C)C)C(C)C
- chemical formula
- C₂₂H₃₀O₅
- canonical SMILES
- CC(=O)OC1C(=O)C2=CC3=C(C=O)C(O)CCC3(C)CCC2(C)C1C(C)C
Sources (2)
via Wikidata · CC0