Cas no 112900-72-8 (17-benzoylpentatriacontane-16,18-dione)
112900-72-8 structure
Product Name:17-benzoylpentatriacontane-16,18-dione
CAS No:112900-72-8
MF:C42H72O3
MW:625.019293785095
CID:2609702
PubChem ID:71336842
Update Time:2025-04-21
17-benzoylpentatriacontane-16,18-dione Chemical and Physical Properties
Names and Identifiers
-
- 17-benzoylpentatriacontane-16,18-dione
- 112900-72-8
- DTXSID20764612
-
- Inchi： 1S/C42H72O3/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-33-37-40(44)41(42(45)38-34-30-29-31-35-38)39(43)36-32-27-25-23-21-19-16-14-12-10-8-6-4-2/h29-31,34-35,41H,3-28,32-33,36-37H2,1-2H3
- InChI Key： KSZFLLGQGVLTCP-UHFFFAOYSA-N
- SMILES： O=C(C(C(C1C=CC=CC=1)=O)C(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 624.54814615Da
- Monoisotopic Mass: 624.54814615Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 45
- Rotatable Bond Count: 34
- Complexity: 692
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 17.1
- Topological Polar Surface Area: 51.2?2
17-benzoylpentatriacontane-16,18-dione Related Literature
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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