(2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-N-(1-pyrrolidin-2-ylcarbonylpiperidin-4-yl)-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide

Systemtic Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-13-oxidanylidene-N-(1-pyrrolidin-2-ylcarbonylpiperidin-4-yl)-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide Openeye Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-N-[1-(pyrrolidine-2-carbonyl)-4-piperidyl]-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide CAS Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-N-[1-[oxo(2-pyrrolidinyl)methyl]-4-piperidinyl]-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide IUPAC Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide Traditional Name: (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-13-keto-2,4a,6a,6b,9,9,12a-heptamethyl-N-(1-prolyl-4-piperidyl)-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxamide Formula: C40H63N3O4 MolecularWeight: 649.94592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)NC6CCN(CC6)C(=O)C7CCCN7)C)C)C)C

Isomeric SMILES

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)NC6CCN(CC6)C(=O)C7CCCN7

InChI

InChI=1S/C40H63N3O4/c1-35(2)30-10-15-40(7)32(38(30,5)14-11-31(35)45)29(44)23-26-27-24-37(4,17-16-36(27,3)18-19-39(26,40)6)34(47)42-25-12-21-43(22-13-25)33(46)28-9-8-20-41-28/h23,25,27-28,30-32,41,45H,8-22,24H2,1-7H3,(H,42,47)/t27-,28?,30-,31-,32+,36+,37-,38-,39+,40+/m0/s1