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14050-92-1 | 11,21-Cycloaspidospermidine-1,2-dicarboxylic acid, 21-oxo-, 1,2-dimethyl ester, (2β)-
CAS No: 14050-92-1 Catalog No: AG001CJL MDL No:MFCD17214778
Product Description
Catalog Number:
AG001CJL
Chemical Name:
11,21-Cycloaspidospermidine-1,2-dicarboxylic acid, 21-oxo-, 1,2-dimethyl ester, (2β)-
CAS Number:
14050-92-1
MDL Number:
MFCD17214778
IUPAC Name:
dimethyl (1R,4S,12R,13S,16R)-17-oxo-5,14-diazahexacyclo[12.4.3.01,13.04,12.06,11.012,16]henicosa-6,8,10-triene-4,5-dicarboxylate
InChI:
InChI=1S/C23H26N2O5/c1-29-19(27)22-10-9-21-8-5-11-24-13-15(17(26)12-21)23(22,18(21)24)14-6-3-4-7-16(14)25(22)20(28)30-2/h3-4,6-7,15,18H,5,8-13H2,1-2H3/t15-,18+,21-,22-,23+/m1/s1
InChI Key:
WLIDZKOEMWHMRI-UYUNAAPYSA-N
Properties
Complexity:
830
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
410.184g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.47g/mol
Monoisotopic Mass:
410.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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