Cas no 7121-47-3 (9,15-Octadecadienoicacid, 12-hydroxy-, (9Z,12R,15Z)-)
7121-47-3 structure
Product Name:9,15-Octadecadienoicacid, 12-hydroxy-, (9Z,12R,15Z)-
CAS No:7121-47-3
MF:C18H32O3
MW:296.444886207581
CID:570321
PubChem ID:5312831
Update Time:2025-04-19
9,15-Octadecadienoicacid, 12-hydroxy-, (9Z,12R,15Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9,15-Octadecadienoicacid, 12-hydroxy-, (9Z,12R,15Z)-
- densipolic acid
- 9,15-Octadecadienoic acid, 12-hydroxy-, (R-(Z,Z))-
- 7121-47-3
- OKIDIWHWTIMACU-MNEPGTOVSA-N
- LMFA02000189
- 9,15-Octadecadienoic acid, 12-hydroxy-, [R-(Z,Z)]-
- (+)-Densipolic acid
- Densipolic acid (7CI)
- (R-(Z,Z))-12-Hydroxy-9,15-octadecadienoic acid
- CHEBI:165769
- 12R-hydroxy-9Z,15Z-octadecadienoic acid
- 12R-HODE
- Q53490428
- (9Z,12R,15Z)-12-hydroxyoctadeca-9,15-dienoic acid
-
- Inchi： 1S/C18H32O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h3-4,9,12,17,19H,2,5-8,10-11,13-16H2,1H3,(H,20,21)/b4-3-,12-9-/t17-/m1/s1
- InChI Key： OKIDIWHWTIMACU-MNEPGTOVSA-N
- SMILES： O[C@H](CC/C=C\CC)C/C=C\CCCCCCCC(=O)O
Computed Properties
- Exact Mass: 296.23526
- Monoisotopic Mass: 296.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 14
- Complexity: 295
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
9,15-Octadecadienoicacid, 12-hydroxy-, (9Z,12R,15Z)- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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