Cas no 92096-16-7 (3-O-demethylmonensin A)
3-O-demethylmonensin A structure
Product Name:3-O-demethylmonensin A
CAS No:92096-16-7
MF:C35H60O11
MW:656.844312667847
CID:997898
Update Time:2023-11-18
3-O-demethylmonensin A Chemical and Physical Properties
Names and Identifiers
-
- 3-O-demethylmonensin A
- 3-O-Demethylmonensin
- CID 102001789
-
- Inchi： 1S/C35H60O11/c1-9-33(30-19(3)15-25(42-30)28-18(2)14-20(4)35(41,17-36)45-28)11-10-26(43-33)32(8)12-13-34(46-32)16-24(37)21(5)29(44-34)22(6)27(38)23(7)31(39)40/h18-30,36-38,41H,9-17H2,1-8H3,(H,39,40)/t18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28-,29-,30+,32-,33-,34+,35-/m0/s1
- InChI Key： HQPUMSXNLBJIRZ-ZVSDQPDZSA-N
- SMILES： O1[C@H](CC[C@@]1(CC)[C@H]1[C@@H](C)C[C@H]([C@@H]2[C@@H](C)C[C@@H](C)[C@@](CO)(O)O2)O1)[C@]1(C)CC[C@]2(C[C@@H]([C@@H](C)[C@@H]([C@@H](C)[C@H]([C@@H](C(=O)O)C)O)O2)O)O1
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 46
- Rotatable Bond Count: 9
- Complexity: 1090
- Topological Polar Surface Area: 164
3-O-demethylmonensin A Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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5. 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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