(-)-Allocolchicine

methyl (8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate

Also Known As: Allocolchicine|Allocolchicin|(-)-allocolchicine|4-14-00-02536 (Beilstein Handbook Reference)|5H-Dibenzo(a,c)cycloheptene-3-carboxylic acid, 6,7-dihydro-5-(acetylamino)-9,10,11-trimethoxy-, methyl ester, (S)-|Methyl 5-acetylamino-6,7-dihydro-9,10,11-trimethoxy-5H-dibenzo(a,c)cycloheptene-3-carboxylate|(5S)-5beta-(Acetylamino)-9,10,11-trimethoxy-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid methyl ester|(5S)-6,7-Dihydro-5-acetylamino-9,10,11-trimethoxy-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid methyl ester|(S)-6,7-Dihydro-5-acetylamino-9,10,11-trimethoxy-5H-dibenzo[a,c]cycloheptene-3-carboxylic acid methyl ester|5H-Dibenzo[a,c]cycloheptene-3-carboxylic acid, 5-(acetylamino)-6,7-dihydro-9,10,11-trimethoxy-, methyl ester, (S)-|methyl (8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate|methyl (8S)-8-acetamido-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-5-carboxylate|methyl 8-acetamido-13,14,15-trimethoxytricyclo(9.4.0.02,7)pentadeca-1(15),2(7),3,5,11,13-hexaene-5-carboxylate|n-[(5s)-3-(methoxycarbonyl)-9,10,11-trimethoxy-6,7-dihydro-5h-dibenzo[a,c]cyclohepten-5-yl]acetamide|N-[(5S)-9,10,11-Trimethoxy-3-(methoxycarbonyl)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl]ethanimidic acid|N-[9,10,11-Trimethoxy-3-(methoxycarbonyl)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl]ethanimidic acid

Molecular Formula	C22H25NO6
Molecular Weight	399.16818 g/mol
LogP	2.9
Topological Polar Surface Area	83.1 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	399.16818
Monoisotopic Mass	399.16818
Heavy Atoms	29
Complexity	584.0

Chemical Identifiers

CAS Number	641-28-1
SMILES	CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)OC)OC)OC)OC
InChIKey	NMKUAEKKJQYLHK-KRWDZBQOSA-N