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21305-36-2 | [6aR,(-)]-4,5,6,6a,7,8-Hexahydro-2,11,12-trimethoxy-6-methylbenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline-1,10-diol
CAS No: 21305-36-2 Catalog No: AG00BM43 MDL No:
Product Description
Catalog Number:
AG00BM43
Chemical Name:
[6aR,(-)]-4,5,6,6a,7,8-Hexahydro-2,11,12-trimethoxy-6-methylbenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline-1,10-diol
CAS Number:
21305-36-2
IUPAC Name:
(10S)-3,4,16-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene-5,17-diol
InChI:
InChI=1S/C21H25NO5/c1-22-8-7-12-10-15(25-2)19(24)18-16(12)13(22)6-5-11-9-14(23)20(26-3)21(27-4)17(11)18/h9-10,13,23-24H,5-8H2,1-4H3/t13-/m0/s1
InChI Key:
MITMOIGRCVEHJP-ZDUSSCGKSA-N
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
371.173g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
371.433g/mol
Monoisotopic Mass:
371.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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