(17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-4,17-dimethyl-cyclopenta[a]phenanthrene

Systemtic Name: (17R)-17-[(2R,5R)-5-ethyl-6-methyl-heptan-2-yl]-4,17-dimethyl-cyclopenta[a]phenanthrene Openeye Name: (17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-4,17-dimethyl-cyclopenta[a]phenanthrene CAS Name: (17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4,17-dimethylcyclopenta[a]phenanthrene IUPAC Name: (17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-4,17-dimethylcyclopenta[a]phenanthrene Traditional Name: (17R)-17-[(1R,4R)-4-ethyl-1,5-dimethyl-hexyl]-4,17-dimethyl-cyclopenta[a]phenanthrene Formula: C29H36 MolecularWeight: 384.59614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1(C=CC2=C1C=CC3=C2C=CC4=C3C=CC=C4C)C)C(C)C

Isomeric SMILES

CC[C@H](CC[C@@H](C)[C@@]1(C=CC2=C1C=CC3=C2C=CC4=C3C=CC=C4C)C)C(C)C

InChI

InChI=1S/C29H36/c1-7-22(19(2)3)12-11-21(5)29(6)18-17-27-26-14-13-23-20(4)9-8-10-24(23)25(26)15-16-28(27)29/h8-10,13-19,21-22H,7,11-12H2,1-6H3/t21-,22-,29+/m1/s1