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Triricinolein

CAT: 0572-TRC-T902050-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T902050-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2540-54-7
Synonyms
(9Z,9'Z,9''Z,12R,12'R,12''R)- (9CI)-12-Hydroxy-1,2,3-propanetriyl Ester 9-Octadecenoic Acid; 12-Hydroxy-1,2,3-propanetriyl Ester 9-Octadecenoic Acid Stereoisomer; (6CI,7CI,8CI)-Tri-Ricinolein; 1,2,3-Tris[((9Z,12R)-12-hydroxy-9-octadecenoyl)oxy]propane; Geopon GO 13; Glycerin triricinoleate; Glycerol triricinoleate; Glyceryl triricinoleate; NSC 93749; Ricinoleic acid triglyceride; Ricinoleic triglyceride
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC)OC(=O)CCCCCCC\C=C/C[C@H](O)CCCCCC
Molecular Formula
C57H104O9
Molecular Weight
933.43
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Glyceryl triricinoleate

Triricinolein is a triglyceride formed by acylation of the three hydroxy groups of glycerol with ricinoleic acid, ((9Z,12R)-12-hydroxydec-9-enoic acid). It is the main constituent of castor oil. It is a homoallylic alcohol, a triglyceride and a secondary alcohol. It is functionally related to a ricinoleic acid.

CAS Number2540-54-7
PubChem CID11764524
IUPAC Name2,3-bis[[(Z,12R)-12-hydroxyoctadec-9-enoyl]oxy]propyl (Z,12R)-12-hydroxyoctadec-9-enoate
Molecular FormulaC57H104O9
Molecular Weight933.4
XLogP17.8
Topological Polar Surface Area140
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count53
Heavy Atom Count66
Formal Charge0
Complexity1110
SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC)COC(=O)CCCCCCC/C=C\C[C@H](O)CCCCCC
InChI
InChI=1S/C57H104O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h25-27,34-36,51-54,58-60H,4-24,28-33,37-50H2,1-3H3/b34-25-,35-26-,36-27-/t51-,52-,53-/m1/s1
InChIKey
ZEMPKEQAKRGZGQ-VBJOUPRGSA-N
Chemical Structure
2D Structure
2D structure of Glyceryl triricinoleate
CAS: 2540-54-7
CID: 11764524
Formula: C57H104O9
MW: 933.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight933.4
XLogP317.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count53
Exact Mass932.76803489
Monoisotopic Mass932.76803489
Topological Polar Surface Area140 Ų
Heavy Atom Count66
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-T232005-01Triricinolein Impurity 5
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AR-T06063-01Triricinolein Impurity 7

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