Inophyllum C
Basic information
- CAS
17312-30-0- Standard SMILES
C[C@H]1Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2C(=O)[C@@H]1C)OC(C)(C)C=C3- InChIKey
YRHQANFINIANSK-ZIAGYGMSSA-N- Molecular formula
- C25H22O5
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.1467238
Overview
Inophyllum C has been reported in Lissachatina fulica, Calophyllum teysmannii, and other organisms with data available.
Names & identifiers
- Preferred name
- Inophyllum C
- IUPAC
- (16R,17R)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione
Names & synonyms
Inophyllum C17312-30-0DTXSID30332407(16R,17R)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo(12.4.0.02,7.08,13)octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dione(16R,17R)-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaene-4,18-dioneRefChem:148353DTXCID70283500CHEMBL334946NSC733299tetramethyl(phenyl)[?]dioneSCHEMBL86984296,6,10,11-Tetramethyl-4-phenyl-10,11-dihydro-6H-dipyrano[2,3-f;2'',3''-h]chromene-2,12-dione
Show more names
BDBM50029988NSC-733299(10R,11R)-6,6,10,11-Tetramethyl-4-phenyl-10,11-dihydro-2H,6H,12H-benzo[1,2-b:3,4-b':5,6-b'']tripyran-2,12-dione
Database identifiers
- CAS
17312-30-0- PubChem CID
- 455252
- DTXSID
DTXSID30332407- ChEMBL
CHEMBL334946- Nikkaji
- J567.504I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 789
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Related reactions
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Compound notes
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