Cas no 111524-32-4 ((1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol)
111524-32-4 structure
Product Name:(1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol
CAS No:111524-32-4
MF:C22H33NO3
MW:359.502326726913
CID:171853
PubChem ID:162848245
Update Time:2024-03-04
(1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol Chemical and Physical Properties
Names and Identifiers
-
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-6,7,10-triol,1-ethyldodecahydro-3-methyl-9-methylene-,(3R,6S,6aR,6bR,7S,8R,10R,10aS,11R,11aR,13R)-
- 8,10a-Ethano-11,3,6a-ethanylylidene-8H-indeno[2,1-b]azocine-6,7,10-triol,1-ethyldodecahydro-3-...
- lepenine
- (1alpha,5alpha,7beta,11beta,12beta,15beta,20R)-21-ethyl-4-methyl-7,20-cycloatid-16-ene-1,11,15-triol
- (1alpha,7beta,11beta,15beta)-21-ethyl-4-methyl-7,20-cycloatid-16-ene-1,11,15-triol
- 7,20-Cycloatidane-1,11,15-triol, 16,17-didehydro-21-ethyl-4-methyl-, (1alpha,11beta,15beta)-
- (1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01
- 111524-32-4
- AKOS040752479
- (1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol
-
- Inchi: 1S/C22H33NO3/c1-4-23-10-20(3)7-6-15(24)22-14(20)9-13(18(22)23)21-8-5-12(11(2)19(21)26)16(25)17(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13+,14-,15+,16+,17-,18?,19-,20+,21+,22-/m1/s1
- InChI Key: DHFGSUNKOXDUNF-WZXOHKDHSA-N
- SMILES: O[C@H]1CC[C@@]2(C)CN(CC)C3[C@@H]4C[C@H]2[C@@]31[C@@H]1[C@H]([C@H]2C(=C)[C@H]([C@]14CC2)O)O
Computed Properties
- Exact Mass: 359.246
- Monoisotopic Mass: 359.246
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 1
- Complexity: 695
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.9
- XLogP3: 1.2
Experimental Properties
- Density: 1.29
- Boiling Point: 537.8°Cat760mmHg
- Flash Point: 284.2°C
- Refractive Index: 1.638
(1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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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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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
111524-32-4 ((1R,2S,5R,9R,10S,11R,13R,14S,15R,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-2,11,14-triol) Related Products
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