Cas no 157501-12-7 (Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester)
157501-12-7 structure
Product Name:Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester
CAS No:157501-12-7
MF:C31H56O2
MW:460.775150299072
CID:2779759
PubChem ID:11305728
Update Time:2025-04-21
Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester Chemical and Physical Properties
Names and Identifiers
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- 157501-12-7
- farnesyl palmitate
- Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrienyl ester
- SCHEMBL13701576
- [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] Hexadecanoate
- 3,7,11-trimethyldodeca-2,6,10-trien-1-yl palmitate
- JXOGISMTOCGSHX-GDHXXOHCSA-N
- Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester
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- Inchi： 1S/C31H56O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25-31(32)33-27-26-30(5)24-20-23-29(4)22-19-21-28(2)3/h21,23,26H,6-20,22,24-25,27H2,1-5H3/b29-23+,30-26+
- InChI Key： JXOGISMTOCGSHX-GDHXXOHCSA-N
- SMILES： O(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C(CCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 460.42803102Da
- Monoisotopic Mass: 460.42803102Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 33
- Rotatable Bond Count: 23
- Complexity: 549
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 2
- Undefined Bond Stereocenter Count: 0
- XLogP3: 12.7
- Topological Polar Surface Area: 26.3?2
Hexadecanoic acid, 3,7,11-trimethyl-2,6,10-dodecatrien-1-yl ester Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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