Daphnoline

(1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol

Also Known As: Daphnoline|Trilobamin|Trilobamine|(+)-Daphnoline|Daphnoline [MI]|Daphnoline (R,S)|Naphthalene-1,8-diamine|6,6'-dimethoxy-2-methyloxyacanthan-7,12'-diol|2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinoline-9,22-diol, 3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-17-methyl-, (4aR,16aS)-|2H-1,24:12,15-Dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinoline-9,22-diol, 3,4,4a,5,16a,17,18,19-octahydro-21,26-dimethoxy-17-methyl-, (4ar-(4ar*,16as*))-|6,6 -Dimethoxy-2-methyloxyacanthan-7,12 -diol|(1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol|(1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo(22.6.2.29,12.13,7.114,18.027,31.022,33)hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaene-6,21-diol|(1R,14S)-20,25-dimethoxy-15-methyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3,5,7(36),9,11,18(33),19,21,24,26,31,34-dodecaene-6,21-diol|(3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno(6,5-b)furan-2-one|(3aR,8R,8aR,9aR)-8-hydroxy-5,8-dimethyl-1-methylene-4,6,7,8a,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2-one|(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido(2',3':17,18)(1,10)dioxacycloeicosino(2,3,4-ij)isoquinoline-9,22-diol|(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-21,26-dimethoxy-17-methyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2',3':17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinoline-9,22-diol

Molecular Formula	C35H36N2O6
Molecular Weight	580.2573 g/mol
LogP	5.5
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	2
Exact Mass	580.2573
Monoisotopic Mass	580.2573
Heavy Atoms	43
Complexity	917.0

Chemical Identifiers

CAS Number	479-36-7
SMILES	CN1CCC2=CC(=C(C3=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=CC(=C(C=C7CCN6)OC)O3)O)O)OC
InChIKey	AKGWXHYTRBFUAD-SXOMAYOGSA-N