(4aS,6aR,6aR,6bR,8aR,12aR,14aR,14bR)-11-cyano-N-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-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-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-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-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-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-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-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-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-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-methoxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,13,14a,14b-dodecahydropicene-4a-carboxamide Formula: C32H46N2O4 MolecularWeight: 522.71864

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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)NOC)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)NOC)C)(C=C(C(=O)C3(C)C)C#N)C

InChI

InChI=1S/C32H46N2O4/c1-27(2)11-13-32(26(37)34-38-8)14-12-31(7)24(20(32)17-27)21(35)15-23-29(5)16-19(18-33)25(36)28(3,4)22(29)9-10-30(23,31)6/h16,20,22-24H,9-15,17H2,1-8H3,(H,34,37)/t20-,22+,23-,24+,29+,30-,31-,32+/m1/s1