Tripetroselinin
Basic information
- CAS
3296-43-3- Standard SMILES
CCCCCCCCCCC/C=C\CCCCC(=O)OCC(COC(=O)CCCC/C=C\CCCCCCCCCCC)OC(=O)CCCC/C=C\CCCCCCCCCCC- InChIKey
SEMJUQWPYRYUOY-ISKMNAODSA-N- Molecular formula
- C57H104O6
- Average molar mass
- 885.4 g/mol
- Monoisotopic mass
- 884.78329103
Names & identifiers
- Preferred name
- Tripetroselinin
- IUPAC
- 2,3-bis[[(Z)-octadec-6-enoyl]oxy]propyl (Z)-octadec-6-enoate
- English name
- 1,2,3-Tri[cis-6-octadecenoyl]glycerol
- Molecular formula
- C57H104O6
- Molecular weight
- 885.43
Names & synonyms
Glycerol cis-6-octadecenoateTripetroselininGlyceryl tripetroselinateTRIPETROSELINUNII-6078N10P1Z6078N10P1ZPETROSELINIC ACID TRIGLYCERIDE6-Octadecenoic acid, 1,2,3-propanetriyl ester, (Z,Z,Z)-6-OCTADECENOIN, TRI-, (Z,Z,Z)-PETROSELINIC ACID GLYCERYL TRIESTER [MI]6-OCTADECENOIC ACID, 1,2,3-PROPANETRIYL ESTER, (6Z,6'Z,6''Z)-6-OCTADECENOIC ACID, 1,1',1''-(1,2,3-PROPANETRIYL) ESTER, (6Z,6'Z,6''Z)-
Show more names
C18:1,[CIS]-6DELTA 6 CIS TRIOCTADECENOINtripetroselinin (C18:1,cis-6)1,2,3-Tri-6(Z)-Octadecenoyl Glycerol1,2,3-Tri-6(Z)-Octadecenoyl-rac-glycerolTrioctadecenoin/Petroselinin(CIS-6)(C18:1)
RefChem:191883PETROSELINIC ACID GLYCERYL TRIESTER3296-43-32,3-bis[[(Z)-octadec-6-enoyl]oxy]propyl (Z)-octadec-6-enoate1,2,3-TRI[CIS-6-OCTADECENOYL]GLYCEROLPETROSELININPropane-1,2,3-triyl (6Z,6'Z,6''Z)-tris(octadec-6-enoate)orb2283056
Database identifiers
- CAS
3296-43-3- PubChem CID
- 5463129
- DTXSID
DTXSID501316996- UNII
- 6078N10P1Z
- Nikkaji
- J598.271E
Properties
Computed structural properties
- XLogP
- 22.4
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 53
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,010
Physicochemical properties
- Melting point
- 26.20001953125 °C · 26.20001953125 °C
- Boiling point
- 818.7 · 818.7±55.0 °C(Predicted)
- Density
- 0.921 · 0.921±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Chloroform: soluble
- form
- A liquid
- CAS DataBase Reference
- 3296 · 3296-43-3
- FDA UNII
- 6078 N10P1Z · 6078N10P1Z
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesTripetroselinin (1,2,3-Tri-6(Z)-octadecenoyl glycerol) is a triacylglycerol that contains Petroselinic acid (HY-113362) at the sn-1, sn-2, and sn-3 positions.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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