Chem
J-GLOBAL ID：200907052217388805   Nikkaji number：J1.854.640J

Carbonic acid (2R,3R,4R,5R,8S,10R,11R,12S,13S,14R)-13-[(3,3-O-dimethyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-10-hydroxy-3,5,8,10,12,14-hexamethyl-11-[[3-(dimethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]oxy]-6,15-dioxo-1-oxa-7-azacyclopentadecane-3,4-diyl ester

炭酸(2R,3R,4R,5R,8S,10R,11R,12S,13S,14R)-13-[(3,3-O-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]-2-エチル-10-ヒドロキシ-3,5,8,10,12,14-ヘキサメチル-11-[[3-(ジメチルアミノ)-3,4,6-トリデオキシ-β-D-xylo-ヘキソピラノシル]オキシ]-6,15-ジオキソ-1-オキサ-7-アザシクロペンタデカン-3,4-ジイル
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： C38H66N2O14
Molecular formula furigana： C38-H66-N2-O14
Molecular weight： 774.946
InChI： InChI=1S/C38H66N2O14/c1-14-25-38(10)31(53-35(45)54-38)22(6)32(43)39-18(2)16-36(8,46)30(52-34-27(41)24(40(11)12)15-19(3)48-34)20(4)28(21(5)33(44)50-25)51-26-17-37(9,47-13)29(42)23(7)49-26/h18-31,34,41-42,46H,14-17H2,1-13H3,(H,39,43)/t18-,19+,20-,21+,22+,23-,24-,25?,26-,27+,28-,29-,30+,31+,34-,36+,37+,38+/m0/s1
InChI key： ZQOMBDALASURPQ-FOFSUHJASA-N
SMILES： CCC1OC(=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)(O)C[C@H](C)NC(=O)[C@H](C)[C@H]2OC(=O)O[C@]12C
Systematic name  (3)：
  • 炭酸(2R,3R,4R,5R,8S,10R,11R,12S,13S,14R)-13-[(3,3-O-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]-2-エチル-10-ヒドロキシ-3,5,8,10,12,14-ヘキサメチル-11-[[3-(ジメチルアミノ)-3,4,6-トリデオキシ-β-D-xylo-ヘキソピラノシル]オキシ]-6,15-ジオキソ-1-オキサ-7-アザシクロペンタデカン-3,4-ジイル
  • (3aR,4R,7R,8S,9S,10R,11R,13S,16R,16aR)-10-{[(2S,3R,4S,6R)-4-(ジメチルアミノ)-3-ヒドロキシ-6-メチルオキサン-2-イル]オキシ}-4-エチル-11-ヒドロキシ-8-{[(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}-3a,7,9,11,13,16-ヘキサメチル-テトラデカヒドロ-2H-[1,3]ジオキソロ[4,5-c]1-オキサ-7-アザシクロペンタデカン-2,6,15-トリオン
  • (3aR,4R,7R,8S,9S,10R,11R,13S,16R,16aR)-10-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-4-ethyl-11-hydroxy-8-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3a,7,9,11,13,16-hexamethyl-tetradecahydro-2H-[1,3]dioxolo[4,5-c]1-oxa-7-azacyclopentadecane-2,6,15-trione
Other name (1)：
  • Carbonic acid (2R,3R,4R,5R,8S,10R,11R,12S,13S,14R)-13-[(3,3-O-dimethyl-2,6-dideoxy-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-10-hydroxy-3,5,8,10,12,14-hexamethyl-11-[[3-(dimethylamino)-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]oxy]-6,15-dioxo-1-oxa-7-azacyclopentadecane-3,4-diyl ester
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