Structure Database (LMSD)
Common Name
all-trans-retinyl oleate
Systematic Name
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl (9Z)-octadec-9-enoate
Synonyms
- O(15)-[(9Z)-octadec-9-enoyl]retinol
- O-oleoyl-all-trans-retinol
- Retinol oleate
- Retinol, (Z)-9-octadecenoate
- Retinyl oleate
3D model of all-trans-retinyl oleate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
FXKDHZXYYBPLHI-TUTABMRPSA-N
InChi (Click to copy)
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+
SMILES (Click to copy)
C1(C(=C(CCC1)C)/C=C/C(/C)=C/C=C/C(/C)=C/COC(=O)CCCCCCC/C=C\CCCCCCCC)(C)C
References
Calculated Physicochemical Properties
Heavy Atoms
40
Rings
1
Aromatic Rings
0
Rotatable Bonds
22
Van der Waals Molecular Volume
652.70
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
12.38
Molar Refractivity
177.03
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Created at
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Updated at
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