Cas no 60077-53-4 (7-[5-(3-acetoxy-6-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-hydroxy-3-methyl-pentyloxy]-chromen-2-one)
60077-53-4 structure
Product Name:7-[5-(3-acetoxy-6-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-hydroxy-3-methyl-pentyloxy]-chromen-2-one
CAS No:60077-53-4
MF:C26H36O7
MW:460.5598487854
CID:2024303
PubChem ID:4234015
Update Time:2025-04-21
7-[5-(3-acetoxy-6-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-hydroxy-3-methyl-pentyloxy]-chromen-2-one Chemical and Physical Properties
Names and Identifiers
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- 7-[5-(3-acetoxy-6-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-hydroxy-3-methyl-pentyloxy]-chromen-2-one
- Feropolin
- (+)-7-[[5-(3-Acetyloxy-6-hydroxy-2,2,6-trimethylcyclohexyl)-3-hydroxy-3-methylpentyl]oxy]-2H-1-benzopyran-2-one
- DB-321905
- 60077-53-4
- (+)-7-[[5-(3-ACETYLOXY-6-HYDROXY-2,2,6-TRIMETHYLCYCLOHEXYL)-3-HYDROXY-3-METHYLPENTYL ]OXY]-2H-1-BENZOPYRAN-2-ONE
- Oprea1_589431
-
- Inchi: 1S/C26H36O7/c1-17(27)32-22-11-13-26(5,30)21(24(22,2)3)10-12-25(4,29)14-15-31-19-8-6-18-7-9-23(28)33-20(18)16-19/h6-9,16,21-22,29-30H,10-15H2,1-5H3
- InChI Key: YACCLBYDBDVLGC-UHFFFAOYSA-N
- SMILES: CC(OC1C(C)(C)C(CCC(CCOC2C=C3C(C=CC(O3)=O)=CC=2)(O)C)C(O)(C)CC1)=O
Computed Properties
- Exact Mass: 460.246
- Monoisotopic Mass: 460.246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 33
- Rotatable Bond Count: 9
- Complexity: 747
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 102A^2
- XLogP3: 4
7-[5-(3-acetoxy-6-hydroxy-2,2,6-trimethyl-cyclohexyl)-3-hydroxy-3-methyl-pentyloxy]-chromen-2-one Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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