Kalashine

(6aR)-11-[4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol

Also Known As: Kalashine|Khyberine 7 -methyl ether|J2.407.610E|4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-6-methyl-11-(4-(((1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-, (6aR)-|8,9-Dihydroxy-2,2-dimethyl-4-oxo-1-oxa-3-azaspiro(4.5)dec-7-yl benzoate|(6aR)-11-(4-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol|(6aR)-5,6,6a,7-Tetrahydro-2-methoxy-6-methyl-11-[4-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methylisoquinoline-1-yl]methyl]phenoxy]-4H-dibenzo[de,g]quinoline-1,10-diol|(9R)-3-(4-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)-15-methoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,13,15-hexaene-4,16-diol|11-{4-[(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenoxy}-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol|4H-DIBENZO(DE,G)QUINOLINE-1,10-DIOL,5,6,6A,7-TETRAHYDRO-2-METHOXY-6-METHYL-11-(4-(((1S)-1,2,3,4-TETRAHYDRO-6,7- DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOXY)-,(6AR)-

Molecular Formula	C37H40N2O6
Molecular Weight	608.28864 g/mol
LogP	6.1
Topological Polar Surface Area	83.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	7
Exact Mass	608.28864
Monoisotopic Mass	608.28864
Heavy Atoms	45
Complexity	979.0

Chemical Identifiers

CAS Number	76372-24-2
SMILES	CN1CCC2=CC(=C(C3=C2[C@H]1CC4=C3C(=C(C=C4)O)OC5=CC=C(C=C5)C[C@H]6C7=CC(=C(C=C7CCN6C)OC)OC)O)OC
InChIKey	FLWXJOMSSUAZEP-WUFINQPMSA-N