(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-N-[4-(6-azanylhexylamino)-4-oxidanylidene-butyl]-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide

Systemtic Name: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-N-[4-(6-azanylhexylamino)-4-oxidanylidene-butyl]-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-bis(oxidanylidene)-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide Openeye Name: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-N-[4-(6-aminohexylamino)-4-oxo-butyl]-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide CAS Name: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-N-[4-(6-aminohexylamino)-4-oxobutyl]-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide IUPAC Name: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-N-[4-(6-aminohexylamino)-4-oxobutyl]-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide Traditional Name: (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-N-[4-(6-aminohexylamino)-4-keto-butyl]-11-cyano-10,14-diketo-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxamide Formula: C41H62N4O4 MolecularWeight: 674.95538

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)NCCCC(=O)NCCCCCCN)C

Isomeric SMILES

C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)NCCCC(=O)NCCCCCCN

InChI

InChI=1S/C41H62N4O4/c1-36(2)16-18-41(35(49)45-22-12-13-32(47)44-21-11-9-8-10-20-42)19-17-40(7)33(28(41)25-36)29(46)23-31-38(5)24-27(26-43)34(48)37(3,4)30(38)14-15-39(31,40)6/h23-24,28,30,33H,8-22,25,42H2,1-7H3,(H,44,47)(H,45,49)/t28-,30-,33-,38-,39+,40+,41-/m0/s1