Cas no 62840-08-8 (Majusculamide B)
Majusculamide B structure
Product Name:Majusculamide B
CAS No:62840-08-8
MF:C28H45N3O5
MW:503.674008131027
CID:2067643
PubChem ID:171040335
Update Time:2025-04-21
Majusculamide B Chemical and Physical Properties
Names and Identifiers
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- Majusculamide B
- 62840-08-8
- DTXSID601046271
-
- Inchi： 1S/C28H45N3O5/c1-8-9-10-11-12-13-24(32)20(4)27(34)30(5)23(18-21-14-16-22(36-7)17-15-21)28(35)31(6)25(19(2)3)26(29)33/h14-17,19-20,23,25H,8-13,18H2,1-7H3,(H2,29,33)
- InChI Key： KKNYIFDIQAVMQG-UHFFFAOYSA-N
- SMILES： CCCCCCCC(C(C(N(C(C(N(C(C(=O)N)C(C)C)C)=O)CC1C=CC(OC)=CC=1)C)=O)C)=O
Computed Properties
- Exact Mass: 446.31445783Da
- Monoisotopic Mass: 446.31445783Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 14
- Complexity: 584
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 66.9?2
Majusculamide B Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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