Chem
J-GLOBAL ID：200907007357031758   Nikkaji number：J2.719.151G

(7R,14R,15S,16R,22R)-7,16-Dihydroxy-11,22-dimethoxy-15-[[3α,4α-dihydroxy-4-methyl-5α-[(2-hydroxy-3,6-dimethylbenzoyl)amino]tetrahydro-2H-pyran-2β-yl]oxy]-25-chloro-4-aza-13-oxatetracyclo[12.7.3.18,12.015,19]pentacosane-1,8(25),9,11,18-pentaene-20,23-diyne-5-one

マズロペプチンクロモホア
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： C40H43ClN2O12
Molecular formula furigana： C40-H43-CL-N2-O12
Molecular weight： 779.240
InChI： InChI=1S/C40H43ClN2O12/c1-20-6-7-21(2)34(47)32(20)37(49)43-28-19-53-38(36(48)39(28,3)50)55-40-23(10-14-29(40)45)9-8-22-16-17-42-31(46)18-25(44)24-11-12-27(52-5)35(33(24)41)54-30(40)15-13-26(22)51-4/h6-7,10-12,16,25-26,28-30,36,38,44-45,47-48,50H,14,17-19H2,1-5H3,(H,42,46)(H,43,49)
InChI key： WUXREEUWDMKMBQ-UHFFFAOYSA-N
SMILES： COC1C#CC2Oc3c(Cl)c(ccc3OC)C(O)CC(=O)NCC=C1C#CC1=CCC(O)C21OC1OCC(NC(=O)c2c(C)ccc(C)c2O)C(C)(O)C1O
Systematic name  (4)：
  • (7R,14R,15S,16R,22R)-7,16-ジヒドロキシ-11,22-ジメトキシ-15-[[3α,4α-ジヒドロキシ-4-メチル-5α-[(2-ヒドロキシ-3,6-ジメチルベンゾイル)アミノ]テトラヒドロ-2H-ピラン-2β-イル]オキシ]-25-クロロ-4-アザ-13-オキサテトラシクロ[12.7.3.18,12.015,19]ペンタコサン-1,8(25),9,11,18-ペンタエン-20,23-ジイン-5-オン
  • (7R,14R,15S,16R,22R)-7,16-ジヒドロキシ-11,22-ジメトキシ-15-[[(2S)-3α,4α-ジヒドロキシ-4-メチル-5α-(2-ヒドロキシ-3,6-ジメチルベンゾイルアミノ)テトラヒドロ-2H-ピラン-2β-イル]オキシ]-25-クロロ-4-アザ-13-オキサテトラシクロ[12.7.3.18,12.015,19]ペンタコサン-1,8(25),9,11,18-ペンタエン-20,23-ジイン-5-オン
  • N-[6-({25-クロロ-8,20-ジヒドロキシ-4,24-ジメトキシ-10-オキソ-2-オキサ-11-アザテトラシクロ[12.7.3.13,7.017,21]ペンタコサ-3(25),4,6,13,17-ペンタエン-15,22-ジイン-21-イル}オキシ)-4,5-ジヒドロキシ-4-メチルオキサン-3-イル]-2-ヒドロキシ-3,6-ジメチルベンズアミド
  • N-[6-({25-chloro-8,20-dihydroxy-4,24-dimethoxy-10-oxo-2-oxa-11-azatetracyclo[12.7.3.13,7.017,21]pentacosa-3(25),4,6,13,17-pentaen-15,22-diyn-21-yl}oxy)-4,5-dihydroxy-4-methyloxan-3-yl]-2-hydroxy-3,6-dimethylbenzamide
Other name (3)：
  • (7R,14R,15S,16R,22R)-7,16-Dihydroxy-11,22-dimethoxy-15-[[3α,4α-dihydroxy-4-methyl-5α-[(2-hydroxy-3,6-dimethylbenzoyl)amino]tetrahydro-2H-pyran-2β-yl]oxy]-25-chloro-4-aza-13-oxatetracyclo[12.7.3.18,12.015,19]pentacosane-1,8(25),9,11,18-pentaene-20,23-diyne-5-one
  • (7R,14R,15S,16R,22R)-7,16-Dihydroxy-11,22-dimethoxy-15-[[(2S)-3α,4α-dihydroxy-4-methyl-5α-(2-hydroxy-3,6-dimethylbenzoylamino)tetrahydro-2H-pyran-2β-yl]oxy]-25-chloro-4-aza-13-oxatetracyclo[12.7.3.18,12.015,19]pentacosane-1,8(25),9,11,18-pentaene-20,23-diyne-5-one
  • マズロペプチンクロモホア
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