Basic information
- CAS
180892-69-7- Standard SMILES
CCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCCCCC2=C[C@H](C)OC2=O)O1- InChIKey
YWTXVAUUCWGHSO-OTUMHNDOSA-N- Molecular formula
- C35H64O5
- Average molar mass
- 564.9 g/mol
- Monoisotopic mass
- 564.47537514
Overview
Rel-annotemoyin-1 has been reported in Annona squamosa with data available.
Names & identifiers
- Preferred name
- Rel-annotemoyin-1
- IUPAC
- (2S)-4-[(15R)-15-hydroxy-15-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]pentadecyl]-2-methyl-2H-furan-5-one
Names & synonyms
REL-ANNOTEMOYIN-1CHEMBL2228645DTXSID301317667180892-69-7(5S)-3-(15-Hydroxy-15-{(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl}pentadecyl)-5-methylfuran-2(5H)-one
Database identifiers
- CAS
180892-69-7- PubChem CID
- 11613853
- DTXSID
DTXSID301317667- ChEMBL
CHEMBL2228645
Properties
Computed structural properties
- XLogP
- 11.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 26
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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