Cas no 62078-12-0 (Ligolide)
Ligolide structure
Product Name:Ligolide
CAS No:62078-12-0
MF:C16H22O4
MW:278.343485355377
CID:2021536
Update Time:2025-04-21
Ligolide Chemical and Physical Properties
Names and Identifiers
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- Ligolide
- (4S)-4a,5,6,7,8,8a-Hexahydro-8aβ-hydroxy-4β-methoxy-3,4aβ,5β-trimethylnaphtho[2,3-b]furan-2(4H)-one
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- Inchi： 1S/C16H22O4/c1-9-6-5-7-16(18)8-11-12(10(2)14(17)20-11)13(19-4)15(9,16)3/h8-9,13,18H,5-7H2,1-4H3
- InChI Key： NWIQYROLUSXJOB-UHFFFAOYSA-N
- SMILES： COC1C2(C(CCCC2C)(O)C=C2C1=C(C(O2)=O)C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- XLogP3: 2.045
Ligolide Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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