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9-cis Retinol

CAT: 0024-sc-210706ASize: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-210706ASize:10 mg
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CAS Number
22737-97-9

Chemical Information

9-cis-Retinol

9-cis-retinol is a retinol in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.

CAS Number22737-97-9
PubChem CID9947823
IUPAC Name(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
Molecular FormulaC20H30O
Molecular Weight286.5
XLogP5.7
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity496
SMILES
CC1=C(C(CCC1)(C)C)/C=C/C(=C\C=C\C(=C\CO)\C)/C
InChI
InChI=1S/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3/b9-6+,12-11+,16-8-,17-13+
InChIKey
FPIPGXGPPPQFEQ-MKOSUFFBSA-N
Chemical Structure
2D Structure
2D structure of 9-cis-Retinol
CAS: 22737-97-9
CID: 9947823
Formula: C20H30O
MW: 286.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.5
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass286.229665576
Monoisotopic Mass286.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity496
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