Cas no 125675-13-0 (9beta,10beta-Epoxide-(1beta,4alpha,5alpha,8alpha)-4-Hydroxy-9,11(13)-guaiadien-12,8-olide)
125675-13-0 structure
Product Name:9beta,10beta-Epoxide-(1beta,4alpha,5alpha,8alpha)-4-Hydroxy-9,11(13)-guaiadien-12,8-olide
CAS No:125675-13-0
MF:C15H20O4
MW:264.316905021667
CID:2067138
Update Time:2025-04-21
9beta,10beta-Epoxide-(1beta,4alpha,5alpha,8alpha)-4-Hydroxy-9,11(13)-guaiadien-12,8-olide Chemical and Physical Properties
Names and Identifiers
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- 9beta,10beta-Epoxide-(1beta,4alpha,5alpha,8alpha)-4-Hydroxy-9,11(13)-guaiadien-12,8-olide
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- Inchi： 1S/C15H20O4/c1-7-8-6-10-9(4-5-14(10,2)17)15(3)12(19-15)11(8)18-13(7)16/h8-12,17H,1,4-6H2,2-3H3
- InChI Key： MLHSIXXJEGVNMU-UHFFFAOYSA-N
- SMILES： CC12C3CCC(C3CC3C(OC(C3=C)=O)C1O2)(O)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- XLogP3: 1.195
9beta,10beta-Epoxide-(1beta,4alpha,5alpha,8alpha)-4-Hydroxy-9,11(13)-guaiadien-12,8-olide Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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