(8S,9S,10R,13S,14S,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

Systemtic Name: (8S,9S,10R,13S,14S,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Openeye Name: (8S,9S,10R,13S,14S,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2E)-1-methylene-4-(trifluoromethyl)penta-2,4-dienyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene CAS Name: (8S,9S,10R,13S,14S,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene IUPAC Name: (8S,9S,10R,13S,14S,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(3E)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Traditional Name: (8S,9S,10R,13S,14S,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2E)-1-methylene-4-(trifluoromethyl)penta-2,4-dienyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene Formula: C28H39F3O2 MolecularWeight: 464.60327

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2C(=C)C=CC(=C)C(F)(F)F)CC=C4C3(CCC(C4)OCOC)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=C)/C=C/C(=C)C(F)(F)F)CC=C4[C@@]3(CCC(C4)OCOC)C

InChI

InChI=1S/C28H39F3O2/c1-18(6-7-19(2)28(29,30)31)23-10-11-24-22-9-8-20-16-21(33-17-32-5)12-14-26(20,3)25(22)13-15-27(23,24)4/h6-8,21-25H,1-2,9-17H2,3-5H3/b7-6+/t21?,22-,23+,24-,25-,26-,27+/m0/s1