Chem
J-GLOBAL ID：200907005490573129   Nikkaji number：J1.647.210G

(1R,2R,3S,4S,5R,8R,9R,11S)-1,3,5,9,11,13-Hexamethyl-2-[3-(methylisopropylamino)-3,4,6-trideoxy-β-D-glucopyranosyloxy]-4-(3-O,3-dimethyl-2,6-dideoxy-β-L-altropyranosyloxy)-8-ethyl-9-methoxy-7,15-dioxabicyclo[10.2.1]pentadeca-12-ene-6,10-dione

(1R,2R,3S,4S,5R,8R,9R,11S)-1,3,5,9,11,13-ヘキサメチル-2-[3-(メチルイソプロピルアミノ)-3,4,6-トリデオキシ-β-D-グルコピラノシルオキシ]-4-(3,3-O-ジメチル-2,6-ジデオキシ-β-L-アロピラノシルオキシ)-8-エチル-9-メトキシ-7,15-ジオキサビシクロ[10.2.1]ペンタデカン-12-エン-6,10-ジオン
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： C40H69NO12
Molecular formula furigana： C40-H69-N-O12
Molecular weight： 755.987
InChI： InChI=1S/C40H69NO12/c1-16-28-40(12,47-15)33(43)23(6)31-21(4)18-39(11,53-31)35(52-37-30(42)27(17-22(5)48-37)41(13)20(2)3)24(7)32(25(8)36(45)50-28)51-29-19-38(10,46-14)34(44)26(9)49-29/h20,22-30,32,34-35,37,42,44H,16-19H2,1-15H3/t22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,34+,35-,37+,38-,39-,40-/m1/s1
InChI key： BELMMAAWNYFCGF-UCOUFWMNSA-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(=O)[C@]1(C)OC)C
Systematic name  (4)：
  • (1R,2R,3S,4S,5R,8R,9R,11S)-1,3,5,9,11,13-ヘキサメチル-2-[3-(メチルイソプロピルアミノ)-3,4,6-トリデオキシ-β-D-グルコピラノシルオキシ]-4-(3,3-O-ジメチル-2,6-ジデオキシ-β-L-アロピラノシルオキシ)-8-エチル-9-メトキシ-7,15-ジオキサビシクロ[10.2.1]ペンタデカン-12-エン-6,10-ジオン
  • (1R,2R,3S,4S,5R,8R,9R,11S)-1,3,5,9,11,13-ヘキサメチル-2-[3-(メチルイソプロピルアミノ)-3,4,6-トリデオキシ-β-D-グルコピラノシルオキシ]-4-(3-O,3-ジメチル-2,6-ジデオキシ-β-L-アルトロピラノシルオキシ)-8-エチル-9-メトキシ-7,15-ジオキサビシクロ[10.2.1]ペンタデカ-12-エン-6,10-ジオン
  • (2S,4R,5R,8R,9S,10S,11R,12R)-5-エチル-9-{[(2S,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}-4-メトキシ-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-3,7-ジオン
  • (2S,4R,5R,8R,9S,10S,11R,12R)-5-ethyl-9-{[(2S,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}-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-ene-3,7-dione
Other name (2)：
  • (1R,2R,3S,4S,5R,8R,9R,11S)-1,3,5,9,11,13-Hexamethyl-2-[3-(methylisopropylamino)-3,4,6-trideoxy-β-D-glucopyranosyloxy]-4-(3,3-O-dimethyl-2,6-dideoxy-β-L-allopyranosyloxy)-8-ethyl-9-methoxy-7,15-dioxabicyclo[10.2.1]pentadecane-12-ene-6,10-dione
  • (1R,2R,3S,4S,5R,8R,9R,11S)-1,3,5,9,11,13-Hexamethyl-2-[3-(methylisopropylamino)-3,4,6-trideoxy-β-D-glucopyranosyloxy]-4-(3-O,3-dimethyl-2,6-dideoxy-β-L-altropyranosyloxy)-8-ethyl-9-methoxy-7,15-dioxabicyclo[10.2.1]pentadeca-12-ene-6,10-dione
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