Cas no 11003-83-1 (Germitetrine B(6CI,7CI,8CI))
Germitetrine B(6CI,7CI,8CI) structure
Product Name:Germitetrine B(6CI,7CI,8CI)
CAS No:11003-83-1
MF:C41H63NO14
MW:793.937234163284
CID:202456
Update Time:2023-11-19
Germitetrine B(6CI,7CI,8CI) Chemical and Physical Properties
Names and Identifiers
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- Germitetrine B(6CI,7CI,8CI)
- Germitetrine B
- CID 133065717
-
- Inchi: 1S/C41H63NO14/c1-10-20(3)34(46)55-33-31(45)30-24(18-42-17-19(2)11-12-28(42)38(30,9)49)25-16-39-32(40(25,33)50)26(53-23(6)44)15-27-36(39,7)14-13-29(41(27,51)56-39)54-35(47)37(8,48)21(4)52-22(5)43/h19-21,24-33,45,48-51H,10-18H2,1-9H3/t19-,20+,21+,24-,25-,26+,27-,28-,29-,30+,31+,32+,33-,36-,37-,38+,39-,40-,41+/m0/s1
- InChI Key: KBGNYIWYDYVUFP-LXLRLIQISA-N
- SMILES: O1[C@]2([C@H](CC[C@@]3(C)[C@@H]2C[C@H]([C@H]2[C@@]4([C@H]([C@@H]([C@@H]5[C@@](C)([C@@H]6CC[C@H](C)CN6C[C@H]5[C@@H]4C[C@@]132)O)O)OC([C@H](C)CC)=O)O)OC(C)=O)OC([C@](C)([C@@H](C)OC(C)=O)O)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 15
- Heavy Atom Count: 56
- Rotatable Bond Count: 12
- Complexity: 1630
- Topological Polar Surface Area: 219
Germitetrine B(6CI,7CI,8CI) Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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