Basic information
- Standard SMILES
CCCCCC[C@H](O)CCC[C@H](O)[C@H]1CC[C@H]([C@H](O)CC[C@H](O)[C@H]2CC[C@@H](CCCCCCCCCC3=C[C@H](C)OC3=O)O2)O1- InChIKey
HKIHGTSLUYNNHM-OKKAQCHBSA-N- Molecular formula
- C37H66O8
- Average molar mass
- 638.9 g/mol
- Monoisotopic mass
- 638.47576907
Overview
(2S)-4-[9-[(2R,5R)-5-[(1S,4R)-4-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one has been reported in Annona cherimola and Annona squamosa with data available.
Names & identifiers
- Preferred name
- (2S)-4-[9-[(2R,5R)-5-[(1S,4R)-4-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
- IUPAC
- (2S)-4-[9-[(2R,5R)-5-[(1S,4R)-4-[(2R,5R)-5-[(1S,5S)-1,5-dihydroxyundecyl]oxolan-2-yl]-1,4-dihydroxybutyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 25
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 833
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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