Basic information
- CAS
14206-01-0- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC- InChIKey
OHXVNPLQCLJGEX-UHFFFAOYSA-N- Molecular formula
- C56H112O2
- Average molar mass
- 817.5 g/mol
- Monoisotopic mass
- 816.86623281
Names & identifiers
- Preferred name
- Triacontyl hexacosanoate
- IUPAC
- triacontyl hexacosanoate
- English name
- triacontyl hexacosanoate
- Molecular formula
- C56H112O2
- Molecular weight
- 817.48728
Names & synonyms
Triacontyl hexacosanoateMarsilinMarsiline14206-01-02CN8UU4ZYYHexacosanoic acid, triacontyl esterDTXSID10161934RefChem:155925DTXCID1084425238-061-21-Triacontanol cerotateEINECS 238-061-2
Show more names
TriacontylhexacosanoatHexacosanoic acid triacontyl ester
BRN 1898368TriacontylhexacosanoateCerotinsauremelissylesterTriacontanyl hexacosanoateUNII-2CN8UU4ZYYTRIACONTYL-HEXACOSANOATESCHEMBL10881043OHXVNPLQCLJGEX-UHFFFAOYSA-N
Database identifiers
- CAS
14206-01-0- PubChem CID
- 84258
- DTXSID
DTXSID10161934- UNII
- 2CN8UU4ZYY
- EC Number
- 238-061-2
- Nikkaji
- J216.905C
Properties
Computed structural properties
- XLogP
- 28.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 54
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 717
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]
Physicochemical properties
- FDA UNII
- 2 CN8UU4ZYY · 2CN8UU4ZYY
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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