Cas no 94359-67-8 (alpinolide)
alpinolide structure
Product Name:alpinolide
CAS No:94359-67-8
MF:C15H22O3
MW:250.333384990692
CID:1999441
PubChem ID:13855687
Update Time:2025-04-21
alpinolide Chemical and Physical Properties
Names and Identifiers
-
- alpinolide
- DTXSID201338876
- 94359-67-8
- (5S)-5-[(1R,2R,5R)-2-Acetyl-5-methylcyclopentyl]-4-(1-methylethyl)-2(5H)-furanone
-
- Inchi： 1S/C15H22O3/c1-8(2)12-7-13(17)18-15(12)14-9(3)5-6-11(14)10(4)16/h7-9,11,14-15H,5-6H2,1-4H3
- InChI Key： XFPNWKDJTKUHLJ-UHFFFAOYSA-N
- SMILES： CC(C1C(C2C(C(=O)C)CCC2C)OC(=O)C=1)C
Computed Properties
- Exact Mass: 250.15689456Da
- Monoisotopic Mass: 250.15689456Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 395
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.72
- Topological Polar Surface Area: 43.4?2
alpinolide 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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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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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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