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53416-82-3

53416-82-3 | 5,6,11,12-Tetrahydro-3,8,9-trimethoxy-13-methyl-1-[[(6aS)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-9-yl]oxy]-5α,11α-epiminodibenzo[a,e]cycloocten-4-ol

CAS No: 53416-82-3 Catalog No: AG00E3JX MDL No:

Product Description

Catalog Number:
AG00E3JX
Chemical Name:
5,6,11,12-Tetrahydro-3,8,9-trimethoxy-13-methyl-1-[[(6aS)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-9-yl]oxy]-5α,11α-epiminodibenzo[a,e]cycloocten-4-ol
CAS Number:
53416-82-3
IUPAC Name:
(1R,9R)-6-[[(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-4,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10,12,14-hexaen-3-ol
InChI:
InChI=1S/C40H44N2O8/c1-41-10-9-20-13-35(48-7)40(49-8)38-24-18-32(46-5)33(15-22(24)11-27(41)36(20)38)50-29-19-34(47-6)39(43)37-25(29)16-26-23-17-31(45-4)30(44-3)14-21(23)12-28(37)42(26)2/h13-15,17-19,26-28,43H,9-12,16H2,1-8H3/t26-,27+,28-/m1/s1
InChI Key:
VSYNDVRNNAPQJU-OZNIXHKMSA-N

Properties

Complexity:
1160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
680.31g/mol
Formal Charge:
0
Heavy Atom Count:
50  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
680.798g/mol
Monoisotopic Mass:
680.31g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  

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