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9-cis-Retinyl Linoleate

CAT: 0572-TRC-R275300-10MGSize: 10 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-R275300-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79299-81-3
Synonyms
9-cis-Retinol Linoleate;
Hazard Statement
Combustible liquid and vapour.
Smiles
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Molecular Formula
C38H60O2
Molecular Weight
548.88
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

9-cis-Retinyl Linoleate
CAS Number79299-81-3
PubChem CID6505801
IUPAC Name[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (9E,12E)-octadeca-9,12-dienoate
Molecular FormulaC38H60O2
Molecular Weight548.9
XLogP13
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count40
Formal Charge0
Complexity917
SMILES
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(CCCC1(C)C)C
InChI
InChI=1S/C38H60O2/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/h11-12,14-15,22,24-25,28-30H,7-10,13,16-21,23,26-27,31-32H2,1-6H3/b12-11+,15-14+,25-22+,29-28+,33-24+,34-30+
InChIKey
XJKITIOIYQCXQR-NUGWQQFDSA-N
Chemical Structure
2D Structure
2D structure of 9-cis-Retinyl Linoleate
CAS: 79299-81-3
CID: 6505801
Formula: C38H60O2
MW: 548.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.9
XLogP313
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass548.45933115
Monoisotopic Mass548.45933115
Topological Polar Surface Area26.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity917
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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0206019-cis-Retinyl Linoleate discontinued
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440394-019-cis-Retinyl-d5 Linoleate discontinued
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