(3R,5R,6S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-bis(fluoranyl)-3-(methoxymethoxy)-5-methyl-hexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol

Systemtic Name: (3R,5R,6S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-bis(fluoranyl)-3-(methoxymethoxy)-5-methyl-hexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Openeye Name: (3R,5R,6S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol CAS Name: (3R,5R,6S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-difluoro-3-(methoxymethoxy)-5-methylhexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol IUPAC Name: (3R,5R,6S,8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-4,4-difluoro-3-(methoxymethoxy)-5-methylhexan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Traditional Name: (3R,5R,6S,8S,9S,10R,13S,14S,17R)-17-[(1S,2R)-3,3-difluoro-2-(methoxymethoxy)-1,4-dimethyl-pentyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol Formula: C28H48F2O4 MolecularWeight: 486.675126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C)OCOC)(F)F

Isomeric SMILES

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)[C@H](C(C(C)C)(F)F)OCOC

InChI

InChI=1S/C28H48F2O4/c1-16(2)28(29,30)25(34-15-33-6)17(3)20-7-8-21-19-14-24(32)23-13-18(31)9-11-27(23,5)22(19)10-12-26(20,21)4/h16-25,31-32H,7-15H2,1-6H3/t17-,18+,19-,20+,21-,22-,23-,24-,25+,26+,27+/m0/s1