Cas no 79385-96-9 (Destruxin E1 (9CI))
Destruxin E1 (9CI) structure
Product Name:Destruxin E1 (9CI)
CAS No:79385-96-9
MF:C30H49N5O8
MW:607.738768339157
CID:563355
PubChem ID:157510
Update Time:2025-04-19
Destruxin E1 (9CI) Chemical and Physical Properties
Names and Identifiers
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- Destruxin E1 (9CI)
- Destruxin E1 5
- 16-butan-2-yl-10,11,14-trimethyl-3-(oxiran-2-ylmethyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.4.0]tricosane-2,5,9,12,15,18-hexone
- DTXSID401000435
- 3-(Butan-2-yl)-1,10-dihydroxy-5,8,9-trimethyl-16-[(oxiran-2-yl)methyl]-6-(propan-2-yl)-3,5,6,8,9,12,13,19,20,21,22,22a-dodecahydro-4H-pyrido[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-4,7,14,17(16H)-tetrone
- 79385-96-9
-
- Inchi： 1S/C30H49N5O8/c1-8-18(4)24-29(40)34(7)25(17(2)3)30(41)33(6)19(5)26(37)31-13-12-23(36)43-22(15-20-16-42-20)28(39)35-14-10-9-11-21(35)27(38)32-24/h17-22,24-25H,8-16H2,1-7H3,(H,31,37)(H,32,38)
- InChI Key： ZYTHYMZQQBWDDS-UHFFFAOYSA-N
- SMILES： O1CC1CC1C(N2CCCCC2C(NC(C(N(C)C(C(N(C)C(C)C(NCCC(=O)O1)=O)=O)C(C)C)=O)C(C)CC)=O)=O
Computed Properties
- Exact Mass: 607.358
- Monoisotopic Mass: 607.358
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 43
- Rotatable Bond Count: 5
- Complexity: 1070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 158?2
Experimental Properties
- Density: 1.23
- Boiling Point: 914.3°C at 760 mmHg
- Flash Point: 506.8°C
- Refractive Index: 1.551
Destruxin E1 (9CI) Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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