Isocolchicine

[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7,8,9-tetrahydro-5H-benzo[a]heptalen-7-yl]carbamic acid

Also Known As: Isocolchicine|Isocolchicin|Isocolchicin [German]|KST-1A5389|4-14-00-00961 (Beilstein Handbook Reference)|[(7s)-1,2,3,9-tetramethoxy-10-oxo-5,6,7,8,9,10-hexahydrobenzo[a]heptalen-7-yl]carbamic acid|Acetamide, N-(5,6,7,10-tetrahydro-1,2,3,9-tetramethoxy-10-oxobenzo(a)heptalen-7-yl)-, (S)-|[(7S)-1,2,3,9-tetramethoxy-10-oxo-6,7,8,9-tetrahydro-5H-benzo[a]heptalen-7-yl]carbamic acid

Molecular Formula	C21H25NO7
Molecular Weight	403.16312 g/mol
LogP	2.59
Topological Polar Surface Area	103.32 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	403.16312
Heavy Atoms	29
Complexity	887.5

Chemical Identifiers

CAS Number	529-73-7
SMILES	COC1CC2=C(C=CC1=O)C3=C(C(=C(C=C3CC[C@@H]2NC(=O)O)OC)OC)OC