(4aS,6aR,6bS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9-hexamethyl-10,14-bis(oxidanylidene)-3,4,5,6,7,8,8a,13,14a,14b-decahydro-1H-picene-4a-carboxylic acid

Systemtic Name: (4aS,6aR,6bS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9-hexamethyl-10,14-bis(oxidanylidene)-3,4,5,6,7,8,8a,13,14a,14b-decahydro-1H-picene-4a-carboxylic acid Openeye Name: (4aS,6aR,6bS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9-hexamethyl-10,14-dioxo-3,4,5,6,7,8,8a,13,14a,14b-decahydro-1H-picene-4a-carboxylic acid CAS Name: (4aS,6aR,6bS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9-hexamethyl-10,14-dioxo-3,4,5,6,7,8,8a,13,14a,14b-decahydro-1H-picene-4a-carboxylic acid IUPAC Name: (4aS,6aR,6bS,14aR,14bR)-11-cyano-2,2,6a,6b,9,9-hexamethyl-10,14-dioxo-3,4,5,6,7,8,8a,13,14a,14b-decahydro-1H-picene-4a-carboxylic acid Traditional Name: (4aS,6aR,6bS,14aR,14bR)-11-cyano-10,14-diketo-2,2,6a,6b,9,9-hexamethyl-3,4,5,6,7,8,8a,13,14a,14b-decahydro-1H-picene-4a-carboxylic acid Formula: C30H39NO4 MolecularWeight: 477.63496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2C1)C(=O)CC4=C5C=C(C(=O)C(C5CCC43C)(C)C)C#N)C)C(=O)O)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@@H]3[C@H]1C(=O)CC4=C5C=C(C(=O)C(C5CC[C@@]24C)(C)C)C#N)(C)C)C(=O)O

InChI

InChI=1S/C30H39NO4/c1-26(2)9-11-30(25(34)35)12-10-29(6)23(21(30)15-26)22(32)14-20-18-13-17(16-31)24(33)27(3,4)19(18)7-8-28(20,29)5/h13,19,21,23H,7-12,14-15H2,1-6H3,(H,34,35)/t19?,21-,23+,28-,29-,30+/m1/s1