(3E)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22)-tetraene-15,21-dione
Basic information
- CAS
103106-19-0- Standard SMILES
C=C1Cc2c(O)cc3c(c2O)C(=O)C2(Cl)CC(Cl)C(C)(C)OC2(C/C=C(\C)CCC1Cl)C3=O- InChIKey
TUASWIIAAPWHMO-KPKJPENVSA-N- Molecular formula
- C25H27Cl3O5
- Average molar mass
- 513.8 g/mol
- Monoisotopic mass
- 512.092407
Names & identifiers
- Preferred name
- (3E)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22)-tetraene-15,21-dione
- IUPAC
- (3E)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22)-tetraene-15,21-dione
- English name
- napyradiomycin C2
- Molecular weight
- 0
Names & synonyms
(3E)-7,16,18-trichloro-11,22-dihydroxy-4,19,19-trimethyl-8-methylidene-20-oxatetracyclo[11.7.1.110,14.01,16]docosa-3,10,12,14(22)-tetraene-15,21-dionenapyradiomycin C23,4a,13-Trichloro-2,3,4,4a,11,12,13,14,15,18-decahydro-9,20-dihydroxy-2,2,16-trimethyl-12-methylene-7,18a-methano-6,10-metheno-5H-cyclohexadeca[b]pyran-5,19-dione
Database identifiers
- CAS
103106-19-0- PubChem CID
- 6438951
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 900
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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