3,11,12,13-Tetrahydroxy-5-methoxy-4,6,6,8,10,12,14,16-octamethyl-7-oxo-15-heptadecenoic acid
Basic information
- Standard SMILES
COC(C(C)C(O)CC(=O)O)C(C)(C)C(=O)C(C)CC(C)C(O)C(C)(O)C(O)C(C)C=C(C)C- InChIKey
QLGNJMNPBNKCBO-UHFFFAOYSA-N- Molecular formula
- C26H48O8
- Average molar mass
- 488.7 g/mol
- Monoisotopic mass
- 488.33491849
Names & identifiers
- Preferred name
- 3,11,12,13-Tetrahydroxy-5-methoxy-4,6,6,8,10,12,14,16-octamethyl-7-oxo-15-heptadecenoic acid
- IUPAC
- 3,11,12,13-tetrahydroxy-5-methoxy-4,6,6,8,10,12,14,16-octamethyl-7-oxoheptadec-15-enoic acid
Names & synonyms
SCHEMBL29885324DTXSID6013360083,11,12,13-Tetrahydroxy-5-methoxy-4,6,6,8,10,12,14,16-octamethyl-7-oxo-15-heptadecenoic acid
Database identifiers
- PubChem CID
- 10097023
- DTXSID
DTXSID601336008- Nikkaji
- J638.691A
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 699
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…