(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-(2-fluoranylethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Systemtic Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-(2-fluoranylethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Openeye Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-(2-fluoroethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol CAS Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-(2-fluoroethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-(2-fluoroethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Traditional Name: (3S,8S,9S,10R,13R,14S,17R)-17-[(E,1R,4R)-4-(2-fluoroethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol Formula: C29H47FO MolecularWeight: 430.681283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCF)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

Isomeric SMILES

C[C@H](/C=C/[C@H](CCF)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C

InChI

InChI=1S/C29H47FO/c1-19(2)21(14-17-30)7-6-20(3)25-10-11-26-24-9-8-22-18-23(31)12-15-28(22,4)27(24)13-16-29(25,26)5/h6-8,19-21,23-27,31H,9-18H2,1-5H3/b7-6+/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1