Cas no 147614-36-6 (Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester)
147614-36-6 structure
Product Name:Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester
CAS No:147614-36-6
MF:C25H28Cl2O8
MW:527.391026496887
CID:176940
Update Time:2024-03-01
Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester
- Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-
- Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester, [7R-(7a,8b,8ab)]-
- Falconensin D
- Benzoic acid, 3,5-dichloro-2,4-dimethoxy-6-methyl-, (7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-yl ester
- (+)-Falconensin D
-
- Inchi： 1S/C25H28Cl2O8/c1-7-8-15-9-14-10-17(29)25(4,23(34-13(3)28)16(14)11-33-15)35-24(30)18-12(2)19(26)22(32-6)20(27)21(18)31-5/h9-10,16,23H,7-8,11H2,1-6H3/t16-,23+,25+/m1/s1
- InChI Key： GJJRTDHSSQUZNO-OYMMJLNRSA-N
- SMILES： C(O[C@@]1(C)C(=O)C=C2[C@]([H])([C@@H]1OC(C)=O)COC(CCC)=C2)(=O)C1=C(C)C(Cl)=C(OC)C(Cl)=C1OC
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 35
- XLogP3: 3.477
Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
147614-36-6 (Benzoic acid,3,5-dichloro-2,4-dimethoxy-6-methyl-,(7R,8S,8aS)-8-(acetyloxy)-6,7,8,8a-tetrahydro-7-methyl-6-oxo-3-propyl-1H-2-benzopyran-7-ylester) Related Products
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