Caracurine V

(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetrazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene

Also Known As: Caracurine V|(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetrazatridecacyclo[33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38]tetratetraconta-2,4,6,12,22,24,26,32-octaene|(1R,9R,16S,18R,19R,20S,21R,29R,36S,38R,39R,40S)-10,30-dioxa-8,15,28,35-tetrazatridecacyclo(33.5.2.215,21.01,36.02,7.08,40.09,19.013,18.016,21.020,28.022,27.029,39.033,38)tetratetraconta-2,4,6,12,22,24,26,32-octaene|(1S,3aR,9R,9aR,10R,11aS,12S,14aR,19aR,20R,20aS,20bS,21R,22aS)-2,3,9a,11,11a,13,14,19a,20a,20b,22,22a-Dodecahydro-10H,21H-1,23:12,27-dimethano-9,10:20,21-bis(epoxy(2)propeno)-9H,20H-dipyrrolo(2,3-d:2',3'-d')(1,5)diazocino(1,2,3-lm:5,6,7-l'm')dicarbazole

Molecular Formula	C38H40N4O2
Molecular Weight	584.3151 g/mol
LogP	3.9
Topological Polar Surface Area	31.4 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	0
Exact Mass	584.3151
Monoisotopic Mass	584.3151
Heavy Atoms	44
Complexity	1280.0

Chemical Identifiers

CAS Number	630-87-5
SMILES	C1CN2CC3=CCO[C@@H]4[C@@H]5[C@H]3C[C@H]2[C@@]16[C@H]5N([C@H]7[C@@H]8[C@H]9C[C@H]1[C@@]2([C@H]8N4C3=CC=CC=C32)CCN1CC9=CCO7)C1=CC=CC=C61
InChIKey	CIRUUTNLDXXBKU-HCKBHOMASA-N