Basic information
- CAS
37259-88-4- Standard SMILES
CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)O)C1O[C@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C- InChIKey
BBMULGJBVDDDNI-WYNKFXHHSA-N- Molecular formula
- C34H54O8
- Average molar mass
- 590.8 g/mol
- Monoisotopic mass
- 590.38186868
Names & identifiers
- Preferred name
- 6-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
- IUPAC
- 6-[(3R,4S,5S,7R)-7-[(3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
- English name
- 6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
- Molecular formula
- C34H54O8
- Molecular weight
- 0
Names & synonyms
6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyl-oxan-2-yl]-3-methyl-oxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxo-nonyl]-2-hydroxy-3-methyl-benzoic acid
Database identifiers
- CAS
37259-88-4- PubChem CID
- 13374587
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 910
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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