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13-cis-Retinal 95%

CAT: 0572-TRC-R239900-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-R239900-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
472-86-6
Hazard Statement
Harmful if inhaled.
Purity
>95% (HPLC)
Smiles
C\C(=C\C=O)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
Molecular Formula
C20 H28 O
Molecular Weight
284.44
InChI
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
Additionnal Information
IUPAC name: (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Shipping Conditions
Ice Packs
Storage Conditions
-86°C

Chemical Information

13-cis-Retinal

13-cis-retinal is a retinal in which the double bond alpha- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration. It has a role as a human metabolite.

CAS Number472-86-6
PubChem CID6436079
IUPAC Name(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Molecular FormulaC20H28O
Molecular Weight284.4
XLogP6.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity522
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C=O)/C)/C
InChI
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13-
InChIKey
NCYCYZXNIZJOKI-HWCYFHEPSA-N
Chemical Structure
2D Structure
2D structure of 13-cis-Retinal
CAS: 472-86-6
CID: 6436079
Formula: C20H28O
MW: 284.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.4
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass284.214015512
Monoisotopic Mass284.214015512
Topological Polar Surface Area17.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity522
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

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