Cas no 150036-84-3 (Denudatine; 11-Deoxy)
Denudatine; 11-Deoxy structure
Product Name:Denudatine; 11-Deoxy
CAS No:150036-84-3
MF:C22H33NO
MW:556.6092g/mol
CID:175976
Update Time:2024-03-04
Denudatine; 11-Deoxy Chemical and Physical Properties
Names and Identifiers
-
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocin-10-ol,1-ethyldodecahydro-3-methyl-9-methylene-,(3R,6aS,6bR,8S,10R,10aS,11R,11aR,13R)- (9CI)
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocin-10-ol,1-ethyldodecahydro-3-methyl-9...
- 7,20-Cycloatidan-15-ol, 16,17-didehydro-21-ethyl-4-methyl-, (15beta)-
- Gymnandine
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocin-10-ol, 1-ethyldodecahydro-3-methyl-9-methylene-, (3R,6aS,6bR,8S,10R,10aS,11R,11aR,13R)- (9CI)
- Denudatine; 11-Deoxy
-
- Inchi： 1S/C22H33NO/c1-4-23-12-20(3)7-5-8-22-16(20)11-15(18(22)23)21-9-6-14(10-17(21)22)13(2)19(21)24/h14-19,24H,2,4-12H2,1,3H3/t14-,15-,16-,17+,18+,19+,20?,21-,22?/m0/s1
- InChI Key： QSAPLIGJBVHCND-NUSIXMJOSA-N
- SMILES： C(N1CC2(CCCC34[C@@]2([H])C[C@]([H])([C@]25CC[C@]([H])(C(=C)[C@H]2O)C[C@@]35[H])[C@@]14[H])C)C
Computed Properties
- Exact Mass: 556.285677
- Monoisotopic Mass: 556.285677
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 39
- Rotatable Bond Count: 17
- Complexity: 1040
- 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: 302
- XLogP3: 3.693
Denudatine; 11-Deoxy Related Literature
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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
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
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
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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