Cas no 128594-97-8 (Isobenzofuran,5-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro-)
![Isobenzofuran,5-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro- structure](https://ossimg.kuujia.com/scimg/129000/128594-97-8x500.png)
128594-97-8 structure
Product Name:Isobenzofuran,5-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro-
CAS No:128594-97-8
MF:C21H26O4
MW:342.428746700287
CID:178249
PubChem ID:145709712
Update Time:2025-04-19
Isobenzofuran,5-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- Isobenzofuran,5-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro-
- (-)-Saururenin
- Isobenzofuran,5-[4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro-, [R-(R*,R*)]-
- Saururenin
- 128594-97-8
-
- Inchi： 1S/C21H26O4/c1-14(9-16-5-7-18(22-3)20(11-16)23-4)15(2)10-17-6-8-19-21(12-17)25-13-24-19/h5-8,11-12,14-15H,9-10,13H2,1-4H3
- InChI Key： ZANBLNRUVUOABN-UHFFFAOYSA-N
- SMILES： COC1C(OC)=CC(CC(C(CC2C=C3C(OCO3)=CC=2)C)C)=CC=1
Computed Properties
- Exact Mass: 340.20394
- Monoisotopic Mass: 340.20384475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 399
- 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
- XLogP3: 4.9
- Topological Polar Surface Area: 27.7?2
Experimental Properties
- PSA: 27.69
Isobenzofuran,5-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,3-dihydro- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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