Chrysophaentin A
Basic information
- Standard SMILES
Oc1cc(O)c2c(c1)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)Oc1c(O)cc(cc1O)C/C(Cl)=C\Cc1cc(c(Cl)cc1O)O2- InChIKey
QGYSNOUOCKPDTD-KNPOPJAVSA-N- Molecular formula
- C32H24Cl4O8
- Average molar mass
- 678.3 g/mol
- Monoisotopic mass
- 676.022528
Overview
structure in first source
Names & identifiers
- Preferred name
- Chrysophaentin A
- IUPAC
- (9E,25E)-4,10,20,26-tetrachloro-2,18-dioxapentacyclo[26.2.2.13,7.119,23.012,17]tetratriaconta-1(30),3,5,7(34),9,12(17),13,15,19,21,23(33),25,28,31-tetradecaene-6,14,16,22,30,31-hexol
Names & synonyms
Chrysophaentin ADTXSID601019058RefChem:918584DTXCID001477056CHEMBL2418095SCHEMBL14225547BDBM50439495(9E,25E)-4,10,20,26-Tetrachloro-2,18-dioxapentacyclo[26.2.2.1~3,7~.1~19,23~.0~12,17~]tetratriaconta-1(30),3(34),4,6,9,12,14,16,19(33),20,22,25,28,31-tetradecaene-6,14,16,22,30,31-hexol
Database identifiers
- PubChem CID
- 46872004
- DTXSID
DTXSID601019058- ChEMBL
CHEMBL2418095- Nikkaji
- J3.208.246G
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,000
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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