Chem
J-GLOBAL ID：200907016532035493   Nikkaji number：J1.996.805G

Kigamicin B

キガミシンB
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： C40H45NO15
Molecular formula furigana： C40-H45-N-O15
Molecular weight： 779.792
InChI： InChI=1S/C40H45NO15/c1-15-19(42)4-6-24(52-15)54-21-5-7-25(53-16(21)2)55-23-12-20(43)28-34(46)31-35(47)30-26-17(10-18-13-40(3)41(8-9-51-40)39(48)27(18)33(26)45)11-22-29(30)37(50-14-49-22)38(31)56-36(28)32(23)44/h10,15-16,19-25,32,42-45,47H,4-9,11-14H2,1-3H3
InChI key： ZDEHLGNKHHJJAC-UHFFFAOYSA-N
SMILES： CC1OC(CCC1O)OC1CCC(OC2CC(O)c3c(oc4c5OCOC6Cc7cc8CC9(C)OCCN9C(=O)c8c(O)c7c(c(O)c4c3=O)c56)C2O)OC1C
Systematic name  (3)：
  • 1,2,3a,4,6,7,10,11,12,13-デカヒドロ-11-[[5-[(テトラヒドロ-5-ヒドロキシ-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-ヒドロキシ-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-hydroxy-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-[(tetrahydro-5-hydroxy-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B
  • Kigamicin B
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