Cas no 128396-35-0 (2(5H)-Furanone,3-(1E)-1,11-dodecadien-1-yl-5-methyl-, (5S)-)
128396-35-0 structure
Product Name:2(5H)-Furanone,3-(1E)-1,11-dodecadien-1-yl-5-methyl-, (5S)-
CAS No:128396-35-0
MF:C17H26O2
MW:262.387145519257
CID:225151
PubChem ID:10879902
Update Time:2025-04-19
2(5H)-Furanone,3-(1E)-1,11-dodecadien-1-yl-5-methyl-, (5S)- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone,3-(1E)-1,11-dodecadien-1-yl-5-methyl-, (5S)-
- (+)-Hamabiwalactone B
- 2(5H)-Furanone,3-[(1E)-1,11-dodecadienyl]-5-methyl-, (5S)- (9CI)
- Hamabiwalactone B
- (S,E)-3-(Dodeca-1,11-dien-1-yl)-5-methylfuran-2(5H)-one
- 128396-35-0
- CHEMBL500274
-
- Inchi： 1S/C17H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14-15(2)19-17(16)18/h3,12-15H,1,4-11H2,2H3/b13-12+/t15-/m0/s1
- InChI Key： OOSLHKAKZTXLFK-LHNRBYRGSA-N
- SMILES： O1C(C(=C[C@@H]1C)/C=C/CCCCCCCCC=C)=O
Computed Properties
- Exact Mass: 262.19338
- Monoisotopic Mass: 262.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2(5H)-Furanone,3-(1E)-1,11-dodecadien-1-yl-5-methyl-, (5S)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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