(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-N,N,2,2,6a,6b,9,9,12a-nonamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide

Systemtic Name: (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-N,N,2,2,6a,6b,9,9,12a-nonamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide Openeye Name: (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-N,N,2,2,6a,6b,9,9,12a-nonamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide CAS Name: (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-N,N,2,2,6a,6b,9,9,12a-nonamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide IUPAC Name: (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-N,N,2,2,6a,6b,9,9,12a-nonamethyl-10,14-dioxo-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide Traditional Name: (4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-10,14-diketo-N,N,2,2,6a,6b,9,9,12a-nonamethyl-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide Formula: C33H48N2O3 MolecularWeight: 520.74582

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2C1)C(=O)CC4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)N(C)C)C

Isomeric SMILES

C[C@@]12CC[C@@H]3[C@@]([C@H]1CC(=O)[C@H]4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)N(C)C)C)(C=C(C(=O)C3(C)C)C#N)C

InChI

InChI=1S/C33H48N2O3/c1-28(2)12-14-33(27(38)35(8)9)15-13-32(7)25(21(33)18-28)22(36)16-24-30(5)17-20(19-34)26(37)29(3,4)23(30)10-11-31(24,32)6/h17,21,23-25H,10-16,18H2,1-9H3/t21-,23+,24-,25+,30+,31-,32-,33+/m1/s1