3,5-bis(azanyl)-2-[[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzaldehyde

Systemtic Name: 3,5-bis(azanyl)-2-[[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzaldehyde Openeye Name: 3,5-diamino-2-[[(10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzaldehyde CAS Name: 3,5-diamino-2-[[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzaldehyde IUPAC Name: 3,5-diamino-2-[[(10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzaldehyde Traditional Name: 3,5-diamino-2-[[(10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]benzaldehyde Formula: C34H52N2O2 MolecularWeight: 520.78888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5=C(C=C(C=C5C=O)N)N)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OC5=C(C=C(C=C5C=O)N)N)C)C

InChI

InChI=1S/C34H52N2O2/c1-21(2)7-6-8-22(3)28-11-12-29-27-10-9-24-18-26(38-32-23(20-37)17-25(35)19-31(32)36)13-15-33(24,4)30(27)14-16-34(28,29)5/h9,17,19-22,26-30H,6-8,10-16,18,35-36H2,1-5H3/t22-,26?,27?,28-,29?,30?,33+,34-/m1/s1