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19775-47-4 | 4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-, (6aS)-
CAS No: 19775-47-4 Catalog No: AG002AZW MDL No:
Product Description
Catalog Number:
AG002AZW
Chemical Name:
4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2,3,9,10-pentamethoxy-6-methyl-, (6aS)-
CAS Number:
19775-47-4
Molecular Formula:
C22H27NO5
Molecular Weight:
385.4535
IUPAC Name:
(6aS)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
InChI:
InChI=1S/C22H27NO5/c1-23-8-7-13-18-15(23)9-12-10-16(24-2)17(25-3)11-14(12)19(18)21(27-5)22(28-6)20(13)26-4/h10-11,15H,7-9H2,1-6H3/t15-/m0/s1
InChI Key:
KMLPLPOAFAPFFE-HNNXBMFYSA-N
SMILES:
COc1cc2c(cc1OC)C[C@H]1c3c2c(OC)c(c(c3CCN1C)OC)OC
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
385.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.46g/mol
Monoisotopic Mass:
385.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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