Cas no 36416-50-9 (Isoepoxyestafiatin)
Isoepoxyestafiatin structure
Product Name:Isoepoxyestafiatin
CAS No:36416-50-9
MF:C15H18O4
MW:262.301024913788
CID:296276
Update Time:2024-02-29
Isoepoxyestafiatin Chemical and Physical Properties
Names and Identifiers
-
- 2H-Bisoxireno[2,3:8,8a]azuleno[4,5-b]furan-7(3aH)-one,octahydro-3a,8c-dimethyl-6-methylene-, (1aR,2aR,3aS,5aS,8aS,8bS,8cS)-
- (+)-Isoepoxyestafiatin
- 2H-Bisoxireno[2,3:8,8a]azuleno[4,5-b]furan-7(3aH)-one,octahydro-3a,8c-dimethyl-6-methylene-, [1aR-(1aa,2aR*,3ab,5ab,8aa,8bb,8ca)]-
- Isoepoxyestafiatin
- Estafiatin, isoepoxy-
- DQRKUDIDIYSHPH-UHFFFAOYSA-N
- 3a,8c-Dimethyl-6-methyleneoctahydro-2H-dioxireno[2',3':2,3:2',3':8,8a]azuleno[4,5-b]furan-7(3ah)-one-, (1aR,2aR,3aS,5aS,8aS,8bS,8cS)-
- 2H-Bisoxireno[2,3:8,8a]azuleno[4,5-b]furan-7(3aH)-one, octahydro-3a,8c-dimethyl-6-methylene-, (1aR,2aR,3aS,5aS,8aS,8bS,8cS)-
- 2H-Bisoxireno[2,3:8,8a]azuleno[4,5-b]furan-7(3aH)-one, octahydro-3a,8c-dimethyl-6-methylene-, [1aR-(1a.alpha.,2aR*,3a.beta.,5a.beta.,8a.al
-
- Inchi： 1S/C15H18O4/c1-7-8-4-5-13(2)15(19-13)6-9-14(3,18-9)11(15)10(8)17-12(7)16/h8-11H,1,4-6H2,2-3H3
- InChI Key： DQRKUDIDIYSHPH-UHFFFAOYSA-N
- SMILES： O1C2(C)CCC3C(=C)C(=O)OC3C3C4(C)C(CC132)O4
Computed Properties
- Exact Mass: 262.121
- Monoisotopic Mass: 262.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.4
Isoepoxyestafiatin Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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