Cas no 38965-84-3 (Chloronectrin)
Chloronectrin structure
Product Name:Chloronectrin
CAS No:38965-84-3
MF:C25H33ClO6
MW:464.978927373886
CID:2001627
PubChem ID:53439631
Update Time:2025-04-21
Chloronectrin Chemical and Physical Properties
Names and Identifiers
-
- Chloronectrin
- [5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate
- 38965-84-3
- 5-(3-Chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl acetate
- DTXSID40702051
- [(E)-5-(3-chloro-5-formyl-2,6-dihydroxy-4-methylphenyl)-3-methyl-1-(1,2,6-trimethyl-3-oxocyclohexyl)pent-3-en-2-yl] acetate
- SCHEMBL20819708
-
- Inchi: 1S/C25H33ClO6/c1-13(7-9-18-23(30)19(12-27)15(3)22(26)24(18)31)21(32-17(5)28)11-25(6)14(2)8-10-20(29)16(25)4/h7,12,14,16,21,30-31H,8-11H2,1-6H3
- InChI Key: JIHNIFVHUVCKQA-UHFFFAOYSA-N
- SMILES: ClC1C(C)=C(C=O)C(=C(C=1O)CC=C(C)C(CC1(C)C(C)C(CCC1C)=O)OC(C)=O)O
Computed Properties
- Exact Mass: 464.197
- Monoisotopic Mass: 464.197
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 32
- Rotatable Bond Count: 8
- Complexity: 736
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 101A^2
- XLogP3: 5.7
Chloronectrin Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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