Basic information
- CAS
64144-49-6- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1- InChIKey
PBJGXWXGARTUCF-TVTZIXCTSA-N- Molecular formula
- C46H80O2
- Average molar mass
- 665.1 g/mol
- Monoisotopic mass
- 664.61583179
Names & identifiers
- Preferred name
- Campesteryl oleate
- IUPAC
- [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (Z)-octadec-9-enoate
Names & synonyms
Campesteryl oleateN67NFU75QYUNII-N67NFU75QY64144-49-6Campest-5-en-3beta-yl (9Z-octadecenoate)Ergost-5-en-3-ol, 3-((9Z)-9-octadecenoate), (3beta,24R)-18:1 Campesterol ester18:1 Campesteryl esterSCHEMBL4736530PBJGXWXGARTUCF-TVTZIXCTSA-NDTXSID501315986LMST01020066
Show more names
(24R)-Ergost-5-en-3beta-yl (9Z)-octadec-9-enoateQ27896614ERGOST-5-EN-3-OL, 3-((9Z)-9-OCTADECENOATE), (3.BETA.,24R)-
Database identifiers
- CAS
64144-49-6- PubChem CID
- 69167708
- DTXSID
DTXSID501315986- UNII
- N67NFU75QY
- Nikkaji
- J716.595A
Properties
Computed structural properties
- XLogP
- 16.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 22
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,010
Experimental & physicochemical properties
LipidsLipids -> Sterol Lipids [ST] -> Sterols [ST01] -> Steryl esters [ST0102]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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