(3E,5E,7R,10S,11S,12E,14S)-7-methoxy-3,11,13-trimethyl-10,14,20-tris(oxidanyl)-17-azabicyclo[16.3.1]docosa-1(22),3,5,12,18,20-hexaene-8,16-dione

Systemtic Name: (3E,5E,7R,10S,11S,12E,14S)-7-methoxy-3,11,13-trimethyl-10,14,20-tris(oxidanyl)-17-azabicyclo[16.3.1]docosa-1(22),3,5,12,18,20-hexaene-8,16-dione Openeye Name: (3E,5E,7R,10S,11S,12E,14S)-10,14,20-trihydroxy-7-methoxy-3,11,13-trimethyl-17-azabicyclo[16.3.1]docosa-1(22),3,5,12,18,20-hexaene-8,16-dione CAS Name: (3E,5E,7R,10S,11S,12E,14S)-10,14,20-trihydroxy-7-methoxy-3,11,13-trimethyl-17-azabicyclo[16.3.1]docosa-1(22),3,5,12,18,20-hexaene-8,16-dione IUPAC Name: (3E,5E,7R,10S,11S,12E,14S)-10,14,20-trihydroxy-7-methoxy-3,11,13-trimethyl-17-azabicyclo[16.3.1]docosa-1(22),3,5,12,18,20-hexaene-8,16-dione Traditional Name: (3E,5E,7R,10S,11S,12E,14S)-10,14,20-trihydroxy-7-methoxy-3,11,13-trimethyl-17-azabicyclo[16.3.1]docosa-1(22),3,5,12,18,20-hexaene-8,16-quinone Formula: C25H33NO6 MolecularWeight: 443.53262

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=C(C(CC(=O)NC2=CC(=CC(=C2)CC(=CC=CC(C(=O)CC1O)OC)C)O)O)C

Isomeric SMILES

C[C@H]1/C=C(/[C@H](CC(=O)NC2=CC(=CC(=C2)C/C(=C/C=C/[C@H](C(=O)C[C@@H]1O)OC)/C)O)O)\C

InChI

InChI=1S/C25H33NO6/c1-15-6-5-7-24(32-4)23(30)13-21(28)16(2)9-17(3)22(29)14-25(31)26-19-10-18(8-15)11-20(27)12-19/h5-7,9-12,16,21-22,24,27-29H,8,13-14H2,1-4H3,(H,26,31)/b7-5+,15-6+,17-9+/t16-,21-,22-,24+/m0/s1