Cas no 121844-72-2 (Elymoclavine-O-beta-fructofuranoside)
121844-72-2 structure
Product Name:Elymoclavine-O-beta-fructofuranoside
CAS No:121844-72-2
MF:C22H28N2O6
MW:416.467526435852
CID:6766676
Update Time:2024-03-03
Elymoclavine-O-beta-fructofuranoside Chemical and Physical Properties
Names and Identifiers
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- Elymoclavine-O-beta-fructofuranoside
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- Inchi： 1S/C22H28N2O6/c1-24-8-12(10-29-22(11-26)21(28)20(27)18(9-25)30-22)5-15-14-3-2-4-16-19(14)13(7-23-16)6-17(15)24/h2-5,7,15,17-18,20-21,23,25-28H,6,8-11H2,1H3/t15-,17-,18-,20+,21-,22-/m1/s1
- InChI Key： JINXBBANMATPBF-XPNLFBPCSA-N
- SMILES： C1C=CC2[C@H]3C=C(CO[C@@]4(O[C@H](CO)[C@H](O)[C@H]4O)CO)CN(C)[C@@H]3CC3C=2C=1NC=3
Computed Properties
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 30
- XLogP3: -1.042
Elymoclavine-O-beta-fructofuranoside Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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