fluoranylmethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(2-methylbutan-2-yloxycarbonyloxy)-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Systemtic Name: fluoranylmethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-bis(fluoranyl)-10,13,16-trimethyl-17-(2-methylbutan-2-yloxycarbonyloxy)-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Openeye Name: fluoromethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-(1,1-dimethylpropoxycarbonyloxy)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate CAS Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-[2-methylbutan-2-yloxy(oxo)methoxy]-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid fluoromethyl ester IUPAC Name: fluoromethyl (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(2-methylbutan-2-yloxycarbonyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate Traditional Name: (6S,8S,9R,10S,11S,13S,14S,16R,17R)-17-tert-amyloxycarbonyloxy-6,9-difluoro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid fluoromethyl ester Formula: C28H37F3O7 MolecularWeight: 542.58439

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)OCF

Isomeric SMILES

CCC(C)(C)OC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)OCF

InChI

InChI=1S/C28H37F3O7/c1-7-24(3,4)37-23(35)38-28(22(34)36-14-29)15(2)10-17-18-12-20(30)19-11-16(32)8-9-25(19,5)27(18,31)21(33)13-26(17,28)6/h8-9,11,15,17-18,20-21,33H,7,10,12-14H2,1-6H3/t15-,17+,18+,20+,21+,25+,26+,27+,28+/m1/s1