(8S,11R,12S,13R)-8,9,9,11,12,13-hexamethyl-4-[1-(4-methylcyclopenta-1,4-dien-1-yl)prop-1-en-2-yl]-5-azabicyclo[12.2.2]octadeca-1(16),14,17-triene-6,10-dione

Systemtic Name: (8S,11R,12S,13R)-8,9,9,11,12,13-hexamethyl-4-[1-(4-methylcyclopenta-1,4-dien-1-yl)prop-1-en-2-yl]-5-azabicyclo[12.2.2]octadeca-1(16),14,17-triene-6,10-dione Openeye Name: (8S,11R,12S,13R)-8,9,9,11,12,13-hexamethyl-4-[1-methyl-2-(4-methylcyclopenta-1,4-dien-1-yl)vinyl]-5-azabicyclo[12.2.2]octadeca-1(16),14,17-triene-6,10-dione CAS Name: (8S,11R,12S,13R)-8,9,9,11,12,13-hexamethyl-4-[1-(4-methyl-1-cyclopenta-1,4-dienyl)prop-1-en-2-yl]-5-azabicyclo[12.2.2]octadeca-1(16),14,17-triene-6,10-dione IUPAC Name: (8S,11R,12S,13R)-8,9,9,11,12,13-hexamethyl-4-[1-(4-methylcyclopenta-1,4-dien-1-yl)prop-1-en-2-yl]-5-azabicyclo[12.2.2]octadeca-1(16),14,17-triene-6,10-dione Traditional Name: (8S,11R,12S,13R)-8,9,9,11,12,13-hexamethyl-4-[1-methyl-2-(4-methylcyclopenta-1,4-dien-1-yl)vinyl]-5-azabicyclo[12.2.2]octadeca-1(16),14,17-triene-6,10-quinone Formula: C32H45NO2 MolecularWeight: 475.7052

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC(CCC2=CC=C(C=C2)C(C(C(C(=O)C1(C)C)C)C)C)C(=CC3=CCC(=C3)C)C

Isomeric SMILES

C[C@H]1CC(=O)NC(CCC2=CC=C(C=C2)[C@@H]([C@@H]([C@H](C(=O)C1(C)C)C)C)C)C(=CC3=CCC(=C3)C)C

InChI

InChI=1S/C32H45NO2/c1-20-9-10-27(17-20)18-21(2)29-16-13-26-11-14-28(15-12-26)24(5)23(4)25(6)31(35)32(7,8)22(3)19-30(34)33-29/h10-12,14-15,17-18,22-25,29H,9,13,16,19H2,1-8H3,(H,33,34)/t22-,23-,24+,25+,29?/m0/s1