Cas no 16863-62-0 ((()-Laballenic acid)
(()-Laballenic acid structure
Product Name:(()-Laballenic acid
CAS No:16863-62-0
MF:C18H32O2
MW:280.445486068726
CID:2064097
PubChem ID:5312471
Update Time:2025-04-21
(()-Laballenic acid Chemical and Physical Properties
Names and Identifiers
-
- (()-Laballenic acid
- (+-)-Laballensaeure
- (R)-Laballenic acid
- Laballensaeure
- Laballensaeure, (-)-5,6-Octadecadiensaeure
- Octadeca-5,6-dien-saeure
- Octadecadien-5,6-saeure-1
- MEGxp0_001551
- 5R,6-octadecadienoic acid
- NCGC00179689-01
- 5S,6-octadecadienoic acid
- Q27109859
- ACon1_002239
- (5R)-octadeca-5,6-dienoic acid
- LMFA01030320
- 16863-62-0
- YXJXBVWHSBEPDQ-UHFFFAOYSA-N
- octadeca-5,6-dienoic acid
- SCHEMBL1665622
- Q27117817
- EX-A9621H
- CHEBI:24993
- CHEBI:38402
- (-)-laballenic acid
- (+)-laballenic acid
- C18:2n-12,13
- LMFA01030914
- octadeca-5S,6-dienoic acid
- LMFA01030774
- C18:2n-13
- (5S)-octadeca-5,6-dienoic acid
- (S)-laballenic acid
- CHEBI:38401
- Q27117822
- laballenic acid
- 5,6-octadecadienoic acid
-
- Inchi： 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12,14H,2-11,15-17H2,1H3,(H,19,20)
- InChI Key： YXJXBVWHSBEPDQ-UHFFFAOYSA-N
- SMILES： CCCCCCCCCCCC=C=CCCCC(=O)O
Computed Properties
- Exact Mass: 280.240230259Da
- Monoisotopic Mass: 280.240230259Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.3
- Topological Polar Surface Area: 37.3?2
(()-Laballenic acid Related Literature
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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