Cas no 20489-24-1 (Ligularenolide)
Ligularenolide structure
Product Name:Ligularenolide
CAS No:20489-24-1
MF:C15H18O2
MW:230.302224636078
CID:284653
Update Time:2024-02-29
Ligularenolide Chemical and Physical Properties
Names and Identifiers
-
- Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7-tetrahydro-3,4a,5-trimethyl-, (4aR,5S)-
- (4aR)-3,4aβ,5β-Trimethyl-4a,5,6,7-tetrahydronaphtho[2,3-b]furan-2(4H)-one
- (-)-Ligularenolide
- Eremophila-1(10),7(11),8-trien-12-oicacid, 8-hydroxy-, g-lactone (8CI)
- Ligularenolid
- Ligularenolide
- Naphtho[2,3-b]furan-2(4H)-one,4a,5,6,7-tetrahydro-3,4a,5-trimethyl-, (4aR-cis)-
-
- Inchi： 1S/C15H18O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h6-7,9H,4-5,8H2,1-3H3/t9-,15+/m0/s1
- InChI Key： ZRQPXMOBGPJKMQ-BJOHPYRUSA-N
- SMILES： O1C(C(C)=C2C1=CC1=CCC[C@H](C)[C@@]1(C)C2)=O
Computed Properties
- Exact Mass: 230.131
- Monoisotopic Mass: 230.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 493
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3
- XLogP3: 3.433
Ligularenolide Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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