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All-trans-Retinyl Stearate

CAT: 0024-sc-477254Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-477254Size:50 mg
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CAS Number
631-87-8

Chemical Information

Vitamin A stearate

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

CAS Number631-87-8
PubChem CID6438398
IUPAC Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] octadecanoate
Molecular FormulaC38H64O2
Molecular Weight552.9
XLogP14.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count23
Heavy Atom Count40
Formal Charge0
Complexity834
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
InChI
InChI=1S/C38H64O2/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/h22,24-25,28-30H,7-21,23,26-27,31-32H2,1-6H3/b25-22+,29-28+,33-24+,34-30+
InChIKey
YNGACJMSLZMZOX-FPFNAQAWSA-N
Chemical Structure
2D Structure
2D structure of Vitamin A stearate
CAS: 631-87-8
CID: 6438398
Formula: C38H64O2
MW: 552.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight552.9
XLogP314.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count23
Exact Mass552.49063128
Monoisotopic Mass552.49063128
Topological Polar Surface Area26.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
sc-4770369-cis-Retinyl Stearate
sc-476306All-trans-Retinyl Oleate
sc-4770459-cis-Retinyl Stearate-d5
sc-210778AAll-trans Retinal
sc-210778All-trans Retinal
sc-217604All-trans Retinal-d5
sc-396043All-trans-Anhydro Retinol
sc-221235All-trans Retinoyl β-D-Glucuronide
sc-221235AAll-trans Retinoyl β-D-Glucuronide
sc-294418Dodecyl Stearate

Alternative Products

CatalogName
020613All-trans-Retinyl Stearate
MBS6104176-019-cis-Retinyl Stearate
0206119-cis-Retinyl Stearate discontinued
R2756039-cis-Retinyl Stearate-d5
440393-019-cis-Retinyl Stearate-d5 discontinued
TRC-R275410-250MGall-trans-Retinyl Oleate
TRC-R275450-1Gall-trans-Retinyl Palmitate
020604All-trans-Retinyl Oleate discontinued
TRC-R275452-10MGall-trans-Retinyl Palmitate-d5 (Major)
112119Retinyl Palmitate

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