Chem
J-GLOBAL ID：200907011030680911   Nikkaji number：J1.762.784H

Proansamycin X

プロアンサマイシンX
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： C35H45NO10
Molecular formula furigana： C35-H45-N-O10
Molecular weight： 639.742
InChI： InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9-,15-11-,17-12?/t14-,16?,18+,19+,20+,27-,28-,30+,31+/m0/s1
InChI key： VFGOUSMZKMNRLA-JAVALAJOSA-N
SMILES： C[C@H]1/C=C\C=C(\C)/C(=O)NC2=CC(=O)c3c(C2=O)c(O)c(C)c(O)c3C(=O)C(=CC(C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H]1O)C
Systematic name  (3)：
  • 1,4-ジオキソ-25,27-ジヒドロキシ-25-デアセトキシ-27-デメトキシ-1,4,28,29-テトラヒドロ-28-メチル-1,4,12-トリデオキシ-12,29-ジデヒドロ-12,29-シクロ-6-O,12:12-O,29-ジセコリファマイシン
  • (10S,11R,12R,13R,14R,15R,16S,17S,18Z,20Z)-2,4,10,12,14,16-ヘキサヒドロキシ-3,7,9,11,13,15,17,21-オクタメチル-23-アザトリシクロ[22.3.1.05,27]オクタコサ-1(27),2,4,7,18,20,24-ヘプタエン-6,22,26,28-テトラオン
  • (10S,11R,12R,13R,14R,15R,16S,17S,18Z,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone
Other name (3)：
  • 1,4-Dioxo-25,27-dihydroxy-25-deacetoxy-27-demethoxy-1,4,28,29-tetrahydro-28-methyl-1,4,12-trideoxy-12,29-didehydro-12,29-cyclo-6-O,12:12-O,29-disecorifamycin
  • プロアンサマイシンX
  • Proansamycin X
KEGG COMPOUND： C12176
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