(2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-azanyl-5-chloranyl-N-(2-diethylaminoethyl)-2-methoxy-benzamide

Systemtic Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxidanylidene-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-azanyl-5-chloranyl-N-(2-diethylaminoethyl)-2-methoxy-benzamide Openeye Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide CAS Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide IUPAC Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide Traditional Name: (2R,4aS,6aR,6aS,6bR,10S,12aS,14bS)-10-acetoxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid; 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxy-benzamide Formula: C46H70ClN3O7 MolecularWeight: 812.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.CC(=O)OC1CCC2(C(C1(C)C)CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.CC(=O)O[C@H]1CC[C@@]2([C@H]3C(=O)C=C4[C@H]5C[C@](CC[C@@]5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C)(C)C(=O)O)C

InChI

InChI=1S/C32H48O5.C14H22ClN3O2/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7;1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36);8-9H,4-7,16H2,1-3H3,(H,17,19)/t21-,23?,24+,25-,28-,29-,30+,31-,32-;/m1./s1