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(±) 4 (5) -DiHDPA lactone

CAT: 0931-T37240-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0931-T37240-01Size:25 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
845673-68-9
Target
Others, PPAR
Related Pathways
Others, DNA Damage/DNA Repair, Metabolism
Bioactivity
(±) 5 (6) -DiHET lactone is a 1,5 cyclic ester derived from (±) 5 (6) -DiHET , which, in turn, is a potential derivative of epoxidation of arachidonic acid at the α-5 double bond. (±) 4 (5) -DiHDPA lactone is a derivative of docosahexaenoic acid that is analogous to (±) 5 (6) -DiHET lactone. It is the 1,4 cyclic ester derived from (±) 4 (5) -DiHDPA, which is produced by epoxidation of DHA at the α-4 double bond. Its biological activity is unknown.
Smiles
CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC(O)C1CCC(=O)O1
Molecular Formula
C22H32O3
Molecular Weight
344.495
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,5-DiHDPA lactone
CAS Number845673-68-9
PubChem CID124582080
IUPAC Name(5S)-5-[(1R,3Z,6Z,9Z,12Z,15Z)-1-hydroxyoctadeca-3,6,9,12,15-pentaenyl]oxolan-2-one
Molecular FormulaC22H32O3
Molecular Weight344.5
XLogP5.2
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity497
SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C[C@H]([C@@H]1CCC(=O)O1)O
InChI
InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22(24)25-21/h3-4,6-7,9-10,12-13,15-16,20-21,23H,2,5,8,11,14,17-19H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-/t20-,21+/m1/s1
InChIKey
PCOBNCGOHMJRLU-VSHOBBMYSA-N
Chemical Structure
2D Structure
2D structure of 4,5-DiHDPA lactone
CAS: 845673-68-9
CID: 124582080
Formula: C22H32O3
MW: 344.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass344.23514488
Monoisotopic Mass344.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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433692-014,5-DiHDPA Lactone
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MBS5796834(+/-)10(11)-DiHDPA
HY-158623-01(±) 13 (14) -DiHDPA
HY-139391-01(±) 10 (11) -DiHDPA
HY-175078(±) 19 (20) -DiHDPA
HY-120178-01(±) 7 (8) -DiHDPA
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