Cas no 41328-90-9 ( )
structure
Product Name:
CAS No:41328-90-9
MF:C28H38O11
MW:550.59472990036
CID:926854
PubChem ID:315128
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- Dihydrobruceantin
- 41328-90-9
- NSC-238186
- NSC238186
- DTXSID60311124
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- Inchi： 1S/C28H38O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h11-12,14,16,19-23,31-33H,7-10H2,1-6H3
- InChI Key： NDAUQCCKCKVGJF-UHFFFAOYSA-N
- SMILES： O1CC23C4CC5C(C)=C(C(CC5(C)C2C(C(C1(C(=O)OC)C3C(C(=O)O4)OC(CC(C)C(C)C)=O)O)O)=O)O
Computed Properties
- Exact Mass: 550.24141202g/mol
- Monoisotopic Mass: 550.24141202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 39
- Rotatable Bond Count: 7
- Complexity: 1140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 11
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 166?2
Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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2. 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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
41328-90-9 ( ) Related Products
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