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Psi Cb

CAT: 0013-GTR19232479-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232479-01Size:1 mg
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Description
Psi Cb (CAS 138078-50-9) is a natural product suitable for use as an analytical reference standard. It is employed in research applications, including in vitro studies investigating natural product chemistry and biological activity.
CAS Number
138078-50-9
Smiles
CCCCCCCC\C=C/[C@H] (O) CC[C@@H] (O) CCCC (O) =O
Molecular Formula
C18H34O4
Molecular Weight
314.466
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5S,8R-DiHOME

5S,8R-DiHOME is a long-chain fatty acid.

CAS Number138078-50-9
PubChem CID24011602
IUPAC Name(Z,5S,8R)-5,8-dihydroxyoctadec-9-enoic acid
Molecular FormulaC18H34O4
Molecular Weight314.5
XLogP4.4
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count22
Formal Charge0
Complexity289
SMILES
CCCCCCCC/C=C\[C@@H](CC[C@H](CCCC(=O)O)O)O
InChI
InChI=1S/C18H34O4/c1-2-3-4-5-6-7-8-9-11-16(19)14-15-17(20)12-10-13-18(21)22/h9,11,16-17,19-20H,2-8,10,12-15H2,1H3,(H,21,22)/b11-9-/t16-,17-/m0/s1
InChIKey
ZAMBNEWCIHMTNZ-FAGFETBGSA-N
Chemical Structure
2D Structure
2D structure of 5S,8R-DiHOME
CAS: 138078-50-9
CID: 24011602
Formula: C18H34O4
MW: 314.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.5
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass314.24570956
Monoisotopic Mass314.24570956
Topological Polar Surface Area77.8 Ų
Heavy Atom Count22
Formal Charge0
Complexity289
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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