Cas no 38496-00-3 (Mucronine D)
Mucronine D structure
Product Name:Mucronine D
CAS No:38496-00-3
MF:C37H51N5O6
MW:661.830749750137
CID:318417
PubChem ID:5373023
Update Time:2024-03-01
Mucronine D Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanamide, a-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-(9CI)
- Benzenepropanamide, a-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]c
- 5,9-Metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecine,benzenepropanamide deriv.
- Daechuine S 9
- Mucronine D
- Daechuine S9
- YTPWZBXRZAQHQB-FBMGVBCBSA-N
- Benzenepropanamide, .alpha.-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-
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- Inchi： 1S/C37H51N5O6/c1-8-24(4)32-35(44)38-18-16-26-22-27(14-15-30(26)47-7)48-31-17-19-42(33(31)36(45)40-32)37(46)28(20-23(2)3)39-34(43)29(41(5)6)21-25-12-10-9-11-13-25/h9-16,18,22-24,28-29,31-33H,8,17,19-21H2,1-7H3,(H,38,44)(H,39,43)(H,40,45)/b18-16+
- InChI Key： YTPWZBXRZAQHQB-FBMGVBCBSA-N
- SMILES： O1C2=CC=C(C(C=CNC(C(C(C)CC)NC(C3C1CCN3C(C(CC(C)C)NC(C(CC1C=CC=CC=1)N(C)C)=O)=O)=O)=O)=C2)OC |t:6|
Computed Properties
- Exact Mass: 661.384
- Monoisotopic Mass: 661.384
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 48
- Rotatable Bond Count: 11
- Complexity: 1120
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 6
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 129
- XLogP3: 5.3
Mucronine D Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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