Basic information
- Standard SMILES
C[C@H]1[C@@H](OCc2ccc(C(=O)O)cc2)O[C@@H]2OC3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3- InChIKey
UVNHKOOJXSALHN-KYNHBKCMSA-N- Molecular formula
- C23H30O7
- Average molar mass
- 418.5 g/mol
Names & identifiers
- Preferred name
- Artelinate
- IUPAC
- 4-[[(4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxymethyl]benzoic acid
Names & synonyms
Artelinate109637-83-4WR-255663 (Sodium)SCHEMBL29711296WR-255,663 (Sodium)UVNHKOOJXSALHN-KYNHBKCMSA-N4-[(trimethyl[?]yl)oxymethyl]benzoic acidBenzoic acid, 4-(((decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-b- enzodioxepin-10-yl)oxy)methyl)-
Database identifiers
- PubChem CID
- 73156
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 662
Related reactions
3 records
Compound notes
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