Pleiatensin

(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1S,2R,3R,4aS,12bS,13aS)-12-[2-(diethylamino)ethyl]-2,10-dimethoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,5a,6,7,12b,13,13a-dodecahydronaphtho[7,6-a]carbazole-1-carboxylate

Also Known As: Pleiatensin|Tensibar|Bietaserpine bitartrate|EINECS 214-180-5|D. L. 152|1-(2-(Diethylamino)ethyl)reserpine bitartrate|Bitartrate acide de N-diethylamino ethyl-reserpine|Bitartrate acide de N-diethylamino ethyl-reserpine [French]|(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1S,2R,3R,4aS,12bS,13aS)-12-[2-(diethylamino)ethyl]-2,10-dimethoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,5a,6,7,12b,13,13a-dodecahydronaphtho[7,6-a]carbazole-1-carboxylate|3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 1-(2-(diethylamino)ethyl)-18-beta-hydroxy-11,17-alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), tartrate (1:2)|Yohimban-16-carboxylic acid, 1-(2-(diethylamino)ethyl)-11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, (R-(R*,R*))-2,3-dihydroxybutanedionate (1:1)|Yohimban-16-carboxylic acid, 1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, [R-(R*,R*)]-2,3-dihydroxybutanedionate (1:1)|(2R,3R)-2,3-dihydroxybutanedioic acid; methyl (1S,2R,3R,4aS,12bS,13aS)-12-(2-diethylaminoethyl)-2,10-dimethoxy-3-(3,4,5-trimethoxybenzoyl)oxy-1,2,3,4,4a,5,5a,6,7,12b,13,13a-dodecahydronaphtho[7,6-a]carbazole-1-carboxylate|3.beta.,20.alpha.-Yohimban-16.beta.-carboxylic acid, 1-[2-(diethylamino)ethyl]-18.beta.-hydroxy-11,17.alpha.-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester), tartrate (1:1)|methyl(1s,2r,3r,4as,12bs,13as)-12-[2-(diethylamino)ethyl]-2,10-dimethoxy-3-[(3,4,5-trimethoxybenzoyl)oxy]-2,3,4,4a,5,5a,6,7,12,12b,13,13a-dodecahydro-1h-naphtho[2,3-a]carbazole-1-carboxylate 2,3-dihydroxybutanedioate(1:1)|Yohimban-16-carboxylic acid, 1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-, methyl ester, (3.beta.,16.beta.,17.alpha.,18.beta.,20.alpha.)-, [R-(R*,R*)]-2,3-dihydroxybutanedionate (1:1)|Yohimban-16-carboxylic acid,1-[2-(diethylamino)ethyl]-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]-,methyl ester,(3beta,16beta,17alpha,18beta,20alpha)-,[r-(r*,r*)]-2,3-dihydroxybutanedionate

Molecular Formula	C44H60N2O15
Molecular Weight	856.39935 g/mol
LogP	4.0
Topological Polar Surface Area	221.98 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	15
Rotatable Bonds	16
Exact Mass	856.39935
Heavy Atoms	61
Complexity	1985.6

Chemical Identifiers

CAS Number	1111-44-0
SMILES	CCN(CC)CCN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OC)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CC4CC3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O