Cas no 151013-39-7 (2H-Pyrrol-2-one,3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy-(9CI))
151013-39-7 structure
Product Name:2H-Pyrrol-2-one,3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy-(9CI)
CAS No:151013-39-7
MF:C27H42N2O5
MW:474.632788181305
CID:159548
PubChem ID:54704416
Update Time:2025-04-19
2H-Pyrrol-2-one,3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrol-2-one,3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy-(9CI)
- 2H-Pyrrol-2-one,3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1
- 3-[[2-[2-(5-amino-6-methyloxan-2-yl)oxypropyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
- SCHEMBL194669
- 151013-39-7
- (3Z)-3-[[2-[2-(5-amino-6-methyloxan-2-yl)oxypropyl]-1,3,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]pyrrolidine-2,4-dione
- BU-4514N
- BU 4514N
-
- Inchi: 1S/C27H42N2O5/c1-14-6-7-19-18(10-14)11-15(2)20(12-16(3)33-23-9-8-21(28)17(4)34-23)27(19,5)25(31)24-22(30)13-29-26(24)32/h11,14,16-21,23,31H,6-10,12-13,28H2,1-5H3,(H,29,32)/b25-24-
- InChI Key: NKWRHFUPAYVQCE-IZHYLOQSSA-N
- SMILES: O/C(=C1\C(NCC\1=O)=O)/C1(C)C(CC(C)OC2CCC(C(C)O2)N)C(C)=CC2CC(C)CCC12
Computed Properties
- Exact Mass: 474.30956
- Monoisotopic Mass: 474.309
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 34
- Rotatable Bond Count: 5
- Complexity: 882
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 9
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 111A^2
- XLogP3: 4.2
Experimental Properties
- Density: 1.18
- Boiling Point: 605.2°Cat760mmHg
- Flash Point: 319.8°C
- Refractive Index: 1.563
- PSA: 110.88
2H-Pyrrol-2-one,3-[[2-[2-[(5-aminotetrahydro-6-methyl-2H-pyran-2-yl)oxy]propyl]-1,2,4a,5,6,7,8,8a-octahydro-1,3,6-trimethyl-1-naphthalenyl]carbonyl]-1,5-dihydro-4-hydroxy-(9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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