Chem
J-GLOBAL ID:200907051201044670   Nikkaji number:J1.726.170C

3-Oxo-3′′-N-[3-fluoro-5-(trifluoromethyl)benzyl]-6-O-methyl-11,12-O-(4-phenylbutyliminocarbonyl)-3-des(3-O,3-C-dimethyl-2,6-dideoxy-α-L-ribo-hexopyranosyloxy)-3′′-N-demethyl-5,5′′-cyclo-6′′-nor-11-deoxyerythromycin

3-オキソ-3′′-N-[3-フルオロ-5-(トリフルオロメチル)ベンジル]-6-O-メチル-11,12-O-(4-フェニルブチルイミノカルボニル)-3-デス(3-O,3-C-ジメチル-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシルオキシ)-3′′-N-デメチル-5,5′′-シクロ-6′′-ノル-11-デオキシエリスロマイシン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C47H62F4N2O10
Molecular formula furigana: C47-H62-F4-N2-O10
Molecular weight: 891.011
InChI: InChI=1S/C47H62F4N2O10/c1-10-35-45(7)40(53(43(58)63-45)19-15-14-18-30-16-12-11-13-17-30)27(3)37(54)26(2)24-44(6,59-9)46(29(5)38(55)28(4)41(57)60-35)36-23-34(39(56)42(61-36)62-46)52(8)25-31-20-32(47(49,50)51)22-33(48)21-31/h11-13,16-17,20-22,26-29,34-36,39-40,42,56H,10,14-15,18-19,23-25H2,1-9H3/t26-,27+,28-,29+,34+,35?,36?,39-,40-,42+,44-,45-,46+/m1/s1
InChI key: HGWYLAALNPIFSJ-FDGOQOBFSA-N
SMILES: CCC1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@]2(O[C@@H]3OC2C[C@@H]([C@H]3O)N(C)Cc2cc(F)cc(c2)C(F)(F)F)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCc3ccccc3)C(=O)O[C@]12C)OC
Systematic name  (3):
  • 3-オキソ-3′′-N-[3-フルオロ-5-(トリフルオロメチル)ベンジル]-6-O-メチル-11,12-O-(4-フェニルブチルイミノカルボニル)-3-デス(3-O,3-C-ジメチル-2,6-ジデオキシ-α-L-ribo-ヘキソピラノシルオキシ)-3′′-N-デメチル-5,5′′-シクロ-6′′-ノル-11-デオキシエリスロマイシン
  • (1S,2R,3S,3'aS,4'R,6S,7'R,9'R,11'R,13'R,15'R,15'aR)-4'-エチル-3-({[3-フルオロ-5-(トリフルオロメチル)フェニル]メチル}(メチル)アミノ)-2-ヒドロキシ-11'-メトキシ-3'a,7',9',11',13',15'-ヘキサメチル-1'-(4-フェニルブチル)-テトラデカヒドロ-7,8-ジオキサスピロ[ビシクロ[3.2.1]オクタン-6,10'-オキサシクロテトラデカ[4,3-d][1,3]オキサゾール]-2',6',8',14'-テトラオン
  • (1S,2R,3S,3'aS,4'R,6S,7'R,9'R,11'R,13'R,15'R,15'aR)-4'-ethyl-3-({[3-fluoro-5-(trifluoromethyl)phenyl]methyl}(methyl)amino)-2-hydroxy-11'-methoxy-3'a,7',9',11',13',15'-hexamethyl-1'-(4-phenylbutyl)-tetradecahydro-7,8-dioxaspiro[bicyclo[3.2.1]octane-6,10'-oxacyclotetradeca[4,3-d][1,3]oxazole]-2',6',8',14'-tetrone
Other name (1):
  • 3-Oxo-3′′-N-[3-fluoro-5-(trifluoromethyl)benzyl]-6-O-methyl-11,12-O-(4-phenylbutyliminocarbonyl)-3-des(3-O,3-C-dimethyl-2,6-dideoxy-α-L-ribo-hexopyranosyloxy)-3′′-N-demethyl-5,5′′-cyclo-6′′-nor-11-deoxyerythromycin
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