1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,3-dione

Systemtic Name: 1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,3-dione Openeye Name: 1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,3-dione CAS Name: 1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,3-dione IUPAC Name: 1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]pyrrole-2,3-dione Traditional Name: 1-[6-[[(13S,17S)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]hexyl]-2-pyrroline-2,3-quinone Formula: C29H40N2O3 MolecularWeight: 464.6395

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2NCCCCCCN4C=CC(=O)C4=O)CCC5=C3C=CC(=C5)OC

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2NCCCCCCN4C=CC(=O)C4=O)CCC5=C3C=CC(=C5)OC

InChI

InChI=1S/C29H40N2O3/c1-29-15-13-23-22-10-8-21(34-2)19-20(22)7-9-24(23)25(29)11-12-27(29)30-16-5-3-4-6-17-31-18-14-26(32)28(31)33/h8,10,14,18-19,23-25,27,30H,3-7,9,11-13,15-17H2,1-2H3/t23?,24?,25?,27-,29-/m0/s1