Cas no 953411-73-9 (CID 12082288)
CID 12082288 structure
Product Name:CID 12082288
CAS No:953411-73-9
MF:C21H22N2O3
MW:350.410985469818
CID:6644346
PubChem ID:12082288
Update Time:2024-03-02
CID 12082288 Chemical and Physical Properties
Names and Identifiers
-
- CS-0016651
- FS-9644
- methyl (1S,10R,12S,19S)-12-ethenyl-9-oxo-8,16-diazapentacyclo[10.6.1.01,10.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
- AKOS040762305
- HY-N1248
- 24314-59-8
- Scandine
- (+)-Scandine;Sandine
- CID 12082288
-
- Inchi： 1S/C21H22N2O3/c1-3-19-9-6-11-23-12-10-20(16(19)23)14-7-4-5-8-15(14)22-17(24)21(20,13-19)18(25)26-2/h3-9,16H,1,10-13H2,2H3,(H,22,24)/t16-,19-,20+,21+/m0/s1
- InChI Key： JTSSMMKHJYRYEG-VRXWPRPYSA-N
- SMILES： O(C)C([C@@]12C(NC3C=CC=CC=3[C@]31CCN1CC=C[C@@](C=C)(C2)[C@H]13)=O)=O
Computed Properties
- Exact Mass: 350.16304257g/mol
- Monoisotopic Mass: 350.16304257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 718
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 58.6?2
CID 12082288 Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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