Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C29H44O4
- Molecular weight
- 456.7 g/mol
- IUPAC name
- (2R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
- SMILES
- CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/CC)\C=C\[C@H]1CC=CC(=O)O1)O
- InChIKey
- QPJTWGLLJWBDQW-KMMMXHTBSA-N
- XLogP
- 7.5
- Polar surface area
- 63.6 Ų
- H-bond donors
- 1
- H-bond acceptors
- 4
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Molecule type
- Small molecule
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 456.324
- Image
- CallystatinA.jpg
Show 4 more facts
- chemical formula
- C₂₉H₄₄O₄
- canonical SMILES
- CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1CC=CC(=O)O1)O
- isomeric SMILES
- CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/C[C@@H](C)/C=C(/CC)\C=C\[C@H]1CC=CC(=O)O1)O
- found in taxon
- Callyspongia truncata
Sources (2)
via Wikidata · CC0