Delphinine

[8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Also Known As: Delphinine|Isomethadone l-form|EINECS 209-214-0|[acetoxy-hydroxy-trimethoxy-(methoxymethyl)-methyl-[?]yl] benzoate|[8-acetyloxy-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate|8-(Acetyloxy)-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate|Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-|8-(Acetyloxy)-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate #|Aconitane-8,10,11-triol, 1,6,19-trimethoxy-4-(methoxymethyl)-16-methyl-, 8-acetate 10-benzoate, (1.|A.,6.|A.,10.|A.,19.|A.)-|Aconitane-8,10,11-triol, 1,6,19-trimethoxy-4-(methoxymethyl)-16-methyl-, 8-acetate 10-benzoate, (1.alpha.,6.alpha.,10.alpha.,19.beta.)-|Aconitane-8,11-triol, 1,6,19-trimethoxy-4-(methoxymethyl)-16-methyl-, 8-acetate 10-benzoate, (1.alpha.,6.alpha.,10.alpha.,19.beta.)-|Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-|Aconitane-8,13,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1-,6-,14-,16|A)-|Aconitane-8,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-|Aconitane-8,14-triol, 1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-, 8-acetate 14-benzoate, (1.alpha.,6.alpha.,14.alpha.,16.beta.)-

Molecular Formula	C33H45NO9
Molecular Weight	599.30945 g/mol
LogP	2.32
Topological Polar Surface Area	112.99 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	10
Rotatable Bonds	8
Exact Mass	599.30945
Heavy Atoms	43
Complexity	1278.1

Chemical Identifiers

CAS Number	561-07-9
SMILES	CC(=O)OC12CC(C3(CC(C1C3OC(=O)C4=CC=CC=C4)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC)O)OC