Cas no 4871-90-3 ((+)-eremophilenolide)
(+)-eremophilenolide structure
Product Name:(+)-eremophilenolide
CAS No:4871-90-3
MF:C15H22O2
MW:234.333984851837
CID:2037527
PubChem ID:442210
Update Time:2025-04-21
(+)-eremophilenolide Chemical and Physical Properties
Names and Identifiers
-
- (+)-eremophilenolide
- (8betaH)-Eremophilenolid
- (8S)-eremophil-7(11)-en-12,8-olide
- 8beta-H-eremophilanolide
- Eremophil-7(11)-en-12,8alpha-olid
- Eremophilenolide
- Furanoeremophilan
- (4aR,5S,8aR,9aS)-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
- AKOS040734859
- 4871-90-3
- Q27106493
- DTXSID70331772
- AC1L9CFZ
- C09409
- CHEBI:4818
-
- Inchi： 1S/C15H22O2/c1-9-5-4-6-11-7-13-12(8-15(9,11)3)10(2)14(16)17-13/h9,11,13H,4-8H2,1-3H3/t9-,11+,13-,15+/m0/s1
- InChI Key： AEQDXSFIHGWHDV-XPGAZNKBSA-N
- SMILES： O1C(C(C)=C2[C@@H]1C[C@H]1CCC[C@H](C)[C@@]1(C)C2)=O
Computed Properties
- Exact Mass: 234.161979940g/mol
- Monoisotopic Mass: 234.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 396
- 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: 3.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 1.07
- Boiling Point: 367.4°C at 760 mmHg
- Flash Point: 153.8°C
- Refractive Index: 1.522
(+)-eremophilenolide Related Literature
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Somenath Panda,Kaushik Kundu,Anusha Basaiahgari,Sanjib Senapati,Ramesh L. Gardas New J. Chem., 2018,42, 7105-7118
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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