4,6-Dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid
Basic information
- CAS
152821-48-2- Standard SMILES
CC/C=C/C(CC)C/C(C)=C/C(O)(CC)CC(O)(/C=C/C(=O)O)CC- InChIKey
AVSPCYKDNIUSRR-UHFFFAOYSA-N- Molecular formula
- C21H36O4
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.26135963
Overview
structure given in first source; isolated from the marine sponge Plakortis halichondrioides
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid
- IUPAC
- (2E,7E,11E)-4,6,10-triethyl-4,6-dihydroxy-8-methyltetradeca-2,7,11-trienoic acid
- English name
- 4,6-dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid
- Molecular formula
- C21H36O4
- Molecular weight
- 352.51
Names & synonyms
4,6-Dhmte-tdta4,6-Dihydroxy-8-methyl-4,6,10-triethyltetradeca-2,7,11-trienoic acid152821-48-2(2E,7E,11E)-4,6,10-triethyl-4,6-dihydroxy-8-methyltetradeca-2,7,11-trienoic acidRefChem:96653CHEMBL4645894,6,10-Triethyl-4,6-dihydroxy-8-methyl-2,7,11-tetradecatrienoic acid2,7,11-Tetradecatrienoic acid, 4,6,10-triethyl-4,6-dihydroxy-8-methyl-
Database identifiers
- CAS
152821-48-2- PubChem CID
- 6440929
- ChEMBL
CHEMBL464589
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 492
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…