Name | LUNA18 |
Iupac Chemical Name | 2-((5S,8S,11S,14S,17S,22aS,28S,34S,36aS)-8-((S)-sec-Butyl)-17-cyclopentyl-28-(3,5-difluoro-4-(trifluoromethyl)phenethyl)-35-ethyl-11-isobutyl-5,6,12,15,18,32-hexamethyl-34-(4-methylbenzyl)-4,7,10,13,16,19,22,27,30,33,36-undecaoxotetratriacontahydro-2H-spiro[azeto[1,2-a]pyrrolo[1,2-m] |
Molecular Formula | C73H105F5N12O12 |
Molecular Weight | 1437.68 |
Smile | O=C(N(C)C)C[C@@H](C(N(C)[C@@H](CC(C)C)C(N[C@@H]([C@@H](C)CC)C(N(C)[C@H]1C)=O)=O)=O)N(C)C([C@H](C2CCCC2)N(C)C(C3(CCCC3)NC([C@@](CCC4)([H])N4C([C@H](CCC5=CC(F)=C(C(F)(F)F)C(F)=C5)NC(CN(C)C([C@H](CC6=CC=C(C)C=C6)N(CC)C([C@@](CC7)([H])N7C1=O)=O)=O)=O)=O)=O)=O)=O |
InChiKey | CBRJDSIKAVHFFO-DEBTURSASA-N |
InChi | InChI=1S/C73H105F5N12O12/c1-15-44(6)60-69(100)84(11)45(7)64(95)90-35-31-53(90)68(99)88(16-2)56(39-46-27-25-43(5)26-28-46)66(97)83(10)41-57(91)79-51(30-29-47-37-49(74)59(50(75)38-47)73(76,77)78)65(96)89-34-21-24-52(89)63(94)81-72(32-19-20-33-72)71(102)87(14)61(48-22-17-18-23-48)70(101)86(13)55(40-58(92)82(8)9)67(98)85(12)54(36-42(3)4)62(93)80-60/h25-28,37-38,42,44-45,48,51-56,60-61H,15-24,29-36,39-41H2,1-14H3,(H,79,91)(H,80,93)(H,81,94)/t44-,45-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1 |
CAS Number | unknown |
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