Cas no 752236-17-2 (Rostratin A; 9,9'-Diepimer, 5,5'-diketone)
752236-17-2 structure
Product Name:Rostratin A; 9,9'-Diepimer, 5,5'-diketone
CAS No:752236-17-2
MF:C18H20N2O6S2
MW:424.491202354431
CID:6725067
Update Time:2024-03-03
Rostratin A; 9,9'-Diepimer, 5,5'-diketone Chemical and Physical Properties
Names and Identifiers
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- Rostratin B
- (-)-Rostratin B
- Rostratin A; 9,9'-Diepimer, 5,5'-diketone
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- Inchi： 1S/C18H20N2O6S2/c21-9-1-3-11(23)13-7(9)5-17-15(25)20-14-8(10(22)2-4-12(14)24)6-18(20,28-27-17)16(26)19(13)17/h7-8,11-14,23-24H,1-6H2
- InChI Key： ICKHXBRXCAORGF-UHFFFAOYSA-N
- SMILES： OC1C2C(CC34N2C(=O)C2(N(C3=O)C3C(CCC(C3C2)=O)O)SS4)C(=O)CC1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 28
- XLogP3: -3.16
Rostratin A; 9,9'-Diepimer, 5,5'-diketone Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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