2,4-Dihydroxy-6-(6alpha,10-dihydroxy-trans-1-undecenyl)benzoic acid mu-lactone
Basic information
- CAS
5916-52-9- Standard SMILES
CC1CCCC(O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1- InChIKey
FPQFYIAXQDXNOR-UHFFFAOYSA-N- Molecular formula
- C18H24O5
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.16237386
Overview
8,16,18-Trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one is a macrolide.
Names & identifiers
- Preferred name
- 2,4-Dihydroxy-6-(6alpha,10-dihydroxy-trans-1-undecenyl)benzoic acid mu-lactone
- IUPAC
- 8,16,18-trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one
Names & synonyms
orb610448SCHEMBL588699SCHEMBL31122092CHEBI:181594DTXSID801350034ICX5609035DB-055482DB-2284362,4-Dihydroxy-6-(6alpha,10-dihydroxy-trans-1-undecenyl)benzoic acid mu-lactone2,4-Dihydroxy-6-(6beta,10-dihydroxy-trans-1-undecenyl)benzoic acid mu-lactone8,16,18-Trihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraen-2-one3,4,5,6,7,8,9,10-OCTAHYDRO-7,14,16-TRIHYDROXY-3-METHYL-1H-2-BENZOXACYC LOTETRADECIN-1-ONE
Database identifiers
- CAS
5916-52-9- PubChem CID
- 134602
- DTXSID
DTXSID801350034- ChEBI
CHEBI:181594
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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