Basic information
- CAS
887278-86-6- Standard SMILES
CCCCCCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCO- InChIKey
DCMRHNLNXHZWIX-XDIGFQIYSA-N- Molecular formula
- C32H66O
- Average molar mass
- 466.9 g/mol
- Monoisotopic mass
- 466.51136673
Overview
C32 mycoketide is an ultra-long-chain primary fatty alcohol consisting of a C27 chain with a hydroxy group at C-1 and with methyl branches at C-4, -8, -12, -16 and -20, all with S stereochemistry.
Names & identifiers
- Preferred name
- (4S,8S,12S,16S,20S)-4,8,12,16,20-Pentamethyl-1-heptacosanol
- IUPAC
- (4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosan-1-ol
Names & synonyms
DTXSID001190874887278-86-6(4S,8S,12S,16S,20S)-4,8,12,16,20-Pentamethyl-1-heptacosanolRefChem:1050531DTXCID901622137C32 mycoketideC32-mycoketide(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosan-1-olCHEBI:77479Epitope ID:224562(all-S)-4,8,12,16,20-pentamethylheptacosan-1-olQ27147015
Show more names
(4S,8S,16S,20S)-4,8,12,16,20-pentamethylheptacosan-1-ol
Database identifiers
- CAS
887278-86-6- PubChem CID
- 11655698
- DTXSID
DTXSID001190874- ChEBI
CHEBI:77479- Nikkaji
- J3.790.565H
Properties
Computed structural properties
- XLogP
- 14.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 25
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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