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all-trans-Retinyl Oleate

CAT: 0572-TRC-R275410-250MGSize: 250 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-R275410-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
631-88-9
Synonyms
Oleic acid, ester with retinol (6CI); Retinol, (9Z)-9-octadecenoate (9CI); Retinol, 9-octadecenoate, (Z)-; Retinol, oleate (7CI,8CI); Retinyl oleate; Vitamin A oleate; all-trans-Retinyl oleate
Hazard Statement
May damage fertility or the unborn child
Smiles
CCCCCCCC\C=C/CCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
Molecular Formula
C38 H62 O2
Molecular Weight
550.9
InChI
InChI=1S/C38H62O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h14-15,22,24-25,28-30H,7-13,16-21,23,26-27,31-32H2,1-6H3/b15-14-,25-22+,29-28+,33-24+,34-30+
Additionnal Information
IUPAC name: [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (Z)-octadec-9-enoate
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

Retinyl oleate

All-trans-retinyl oleate is a fatty acid ester formed between oleic acid and all-trans-retinol. It is functionally related to an oleic acid and an all-trans-retinol.

CAS Number631-88-9
PubChem CID11699609
IUPAC Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (Z)-octadec-9-enoate
Molecular FormulaC38H62O2
Molecular Weight550.9
XLogP13.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Heavy Atom Count40
Formal Charge0
Complexity875
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
InChI
InChI=1S/C38H62O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-37(39)40-32-30-34(3)25-22-24-33(2)28-29-36-35(4)26-23-31-38(36,5)6/h14-15,22,24-25,28-30H,7-13,16-21,23,26-27,31-32H2,1-6H3/b15-14-,25-22+,29-28+,33-24+,34-30+
InChIKey
FXKDHZXYYBPLHI-TUTABMRPSA-N
Chemical Structure
2D Structure
2D structure of Retinyl oleate
CAS: 631-88-9
CID: 11699609
Formula: C38H62O2
MW: 550.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.9
XLogP313.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count22
Exact Mass550.47498122
Monoisotopic Mass550.47498122
Topological Polar Surface Area26.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity875
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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sc-4770279-cis-Retinyl Oleate-d17
020613All-trans-Retinyl Stearate
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