Chem
J-GLOBAL ID:200907007582984446
Nikkaji number:J247.159K
EM-574
EM-574
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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:
C39 H69 NO12
Molecular formula furigana:
C39-H69-N-O12
Molecular weight:
743.976
InChI:
InChI=1S/C39H69NO12/c1-15-27-39(12,45)32(42)22(6)30-20(4)17-38(11,52-30)34(51-36-29(41)26(16-21(5)47-36)40(13)19(2)3)23(7)31(24(8)35(44)49-27)50-28-18-37(10,46-14)33(43)25(9)48-28/h19,21-29,31-34,36,41-43,45H,15-18H2,1-14H3/t21-,22+,23+,24-,25+,26+,27-,28+,29-,31+,32-,33+,34-,36+,37-,38-,39-/m1/s1
InChI key:
FPBKIOZMKHHNLL-CBUZSSJJSA-N
SMILES:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(C)C)[C@@]2(C)CC(=C(O2)[C@H](C)[C@@H](O)[C@]1(C)O)C
Systematic name (7):
8,9-ジデヒドロ-3′′-N-デメチル-9-デオキソ-6-デオキシ-6,9-エポキシ-3′′-N-(1-メチルエチル)エリスロマイシン
(6R)-3′′-N-イソプロピル-3′′-N-デメチル-6,9-エポキシ-6-デオキシ-9-デオキソ-8,9-ジデヒドロエリスロマイシン
(6R)-3′′-N-デメチル-3′′-N-イソプロピル-6-デオキシ-9-デオキソ-8,9-ジデヒドロ-6,9-エポキシエリスロマイシン
6β,9-エポキシ-8,9-ジデヒドロ-9-デオキソ-6-デオキシ-3′′-デス(ジメチルアミノ)-3′′-(N-イソプロピル-N-メチルアミノ)エリスロマイシン
3′′-N-イソプロピル-3′′-N-デメチル-6-デオキシ-9-デオキソ-8,9-ジデヒドロ-6,9-エポキシエリスロマイシン
(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-エチル-3,4-ジヒドロキシ-9-{[(2R,4R,5S,6S)-5-ヒドロキシ-4-メトキシ-4,6-ジメチルオキサン-2-イル]オキシ}-11-{[(2S,3R,4S,6R)-3-ヒドロキシ-6-メチル-4-[メチル(プロパン-2-イル)アミノ]オキサン-2-イル]オキシ}-2,4,8,10,12,14-ヘキサメチル-6,15-ジオキサビシクロ[10.2.1]ペンタデカ-1(14)-エン-7-オン
(2R,3R,4S,5R,8R,9S,10S,11R,12R)-5-ethyl-3,4-dihydroxy-9-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-11-{[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(propan-2-yl)amino]oxan-2-yl]oxy}-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
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Other name (3):
6β,9-Epoxy-8,9-didehydro-9-deoxo-6-deoxy-3′′-des(dimethylamino)-3′′-(N-isopropyl-N-methylamino)erythromycin
EM-574
3′′-N-Isopropyl-3′′-N-demethyl-6-deoxy-9-deoxo-8,9-didehydro-6,9-epoxyerythromycin
CAS registry number:
110480-13-2
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