Chem
J-GLOBAL ID：200907050019744229   Nikkaji number：J1.996.808A

Kigamicin E

キガミシンE
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： C55H71NO22
Molecular formula furigana： C55-H71-N-O22
Molecular weight： 1098.158
InChI： InChI=1S/C55H71NO22/c1-21-28(74-35-17-32(65-7)49(23(3)72-35)77-37-18-33(66-8)50(24(4)73-37)76-36-16-30(64-6)44(58)22(2)71-36)9-10-34(70-21)75-31-15-27(57)40-47(61)43-48(62)42-38-25(13-26-19-55(5)56(11-12-69-55)54(63)39(26)46(38)60)14-29-41(42)52(68-20-67-29)53(43)78-51(40)45(31)59/h13,21-24,27-37,44-45,49-50,57-60,62H,9-12,14-20H2,1-8H3
InChI key： HSNNYVGQDKCUKD-UHFFFAOYSA-N
SMILES： COC1CC(OC2C(C)OC(CC2OC)OC2C(C)OC(CC2OC)OC2CCC(OC3CC(O)c4c(oc5c6OCOC7Cc8cc9CC%10(C)OCCN%10C(=O)c9c(O)c8c(c(O)c5c4=O)c67)C3O)OC2C)OC(C)C1O
Systematic name  (3)：
  • 1,2,3a,4,6,7,10,11,12,13-デカヒドロ-11-[[5-[[5-[[5-[(テトラヒドロ-5-ヒドロキシ-4-メトキシ-6-メチル-2H-ピラン-2-イル)オキシ]テトラヒドロ-4-メトキシ-6-メチル-2H-ピラン-2-イル]オキシ]テトラヒドロ-4-メトキシ-6-メチル-2H-ピラン-2-イル]オキシ]テトラヒドロ-6-メチル-2H-ピラン-2-イル]オキシ]-10,13,15,16-テトラヒドロキシ-3a-メチル-7,8-(メチレンジオキシ)-17a-アザ-3,9-ジオキサ-17aH-シクロペンタ[b]ヘキサフェン-14,17-ジオン
  • 2,6,9,30-テトラヒドロキシ-8-[(5-{[5-({5-[(5-ヒドロキシ-4-メトキシ-6-メチルオキサン-2-イル)オキシ]-4-メトキシ-6-メチルオキサン-2-イル}オキシ)-4-メトキシ-6-メチルオキサン-2-イル]オキシ}-6-メチルオキサン-2-イル)オキシ]-23-メチル-11,14,16,24-テトラオキサ-27-アザオクタシクロ[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]ドトリアコンタ-1(32),2,5(10),12,19,21(29),30-ヘプタエン-4,28-ジオン
  • 2,6,9,30-tetrahydroxy-8-[(5-{[5-({5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4-methoxy-6-methyloxan-2-yl}oxy)-4-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-23-methyl-11,14,16,24-tetraoxa-27-azaoctacyclo[15.14.1.03,12.05,10.013,32.019,31.021,29.023,27]dotriaconta-1(32),2,5(10),12,19,21(29),30-heptaene-4,28-dione
Other name (3)：
  • 1,2,3a,4,6,7,10,11,12,13-Decahydro-11-[[5-[[5-[[5-[(tetrahydro-5-hydroxy-4-methoxy-6-methyl-2H-pyran-2-yl)oxy]tetrahydro-4-methoxy-6-methyl-2H-pyran-2-yl]oxy]tetrahydro-4-methoxy-6-methyl-2H-pyran-2-yl]oxy]tetrahydro-6-methyl-2H-pyran-2-yl]oxy]-10,13,15,16-tetrahydroxy-3a-methyl-7,8-(methylenedioxy)-17a-aza-3,9-dioxa-17aH-cyclopenta[b]hexaphene-14,17-dione
  • キガミシンE
  • Kigamicin E
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