(8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-6-methoxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione

Systemtic Name: (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methyl-heptan-2-yl]-6-methoxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione Openeye Name: (8S,9S,10R,13R,14S,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-6-methoxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione CAS Name: (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-6-methoxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione IUPAC Name: (8S,9S,10R,13R,14S,17R)-17-[(2R)-5-ethyl-6-methylheptan-2-yl]-6-methoxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-dione Traditional Name: (8S,9S,10R,13R,14S,17R)-17-[(1R)-4-ethyl-1,5-dimethyl-hexyl]-6-methoxy-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-quinone Formula: C30H50O3 MolecularWeight: 458.7162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C)C1CCC2C1(CCC3C2C(=O)C(C4C3(CCC(=O)C4)C)OC)C)C(C)C

Isomeric SMILES

CCC(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C(C4[C@@]3(CCC(=O)C4)C)OC)C)C(C)C

InChI

InChI=1S/C30H50O3/c1-8-20(18(2)3)10-9-19(4)22-11-12-23-26-24(14-16-29(22,23)5)30(6)15-13-21(31)17-25(30)28(33-7)27(26)32/h18-20,22-26,28H,8-17H2,1-7H3/t19-,20?,22-,23+,24+,25?,26+,28?,29-,30-/m1/s1