Chem
J-GLOBAL ID：200907029330185668   Nikkaji number：J441.726G

Exserohilone

エキセロヒロン
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： C20H22N2O6S2
Molecular formula furigana： C20-H22-N2-O6-S2
Molecular weight： 450.520
InChI： InChI=1S/C20H22N2O6S2/c1-29-19-7-9-11(23)3-5-13(25)15(9)21(19)18(28)20(30-2)8-10-12(24)4-6-14(26)16(10)22(20)17(19)27/h3-6,9-10,13-16,25-26H,7-8H2,1-2H3/t9-,10-,13+,14+,15+,16+,19-,20-/m0/s1
InChI key： FWPMSYUTOOUASJ-GFIYPFTLSA-N
SMILES： CS[C@]12C[C@@H]3[C@H]([C@H](O)C=CC3=O)N1C(=O)[C@]1(C[C@@H]3[C@H]([C@H](O)C=CC3=O)N1C2=O)SC
Systematic name  (3)：
  • (4R,4aβ,7aα,11aβ,14aα)-4β,11β-ジヒドロキシ-6aα,13aα-ジ(メチルチオ)-4,4a,6a,7,11,11a,14,14a-オクタヒドロ-1H,6H-ピラジノ[1,2-a:4,5-a′]ジインドール-1,6,8,13(7aH,13aH)-テトラオン
  • (1S,4R,5R,9R,11S,14R,15R,19R)-5,15-ジヒドロキシ-1,11-ビス(メチルスルファニル)-3,13-ジアザペンタシクロ[11.7.0.03,11.04,9.014,19]イコサ-6,16-ジエン-2,8,12,18-テトラオン
  • (1S,4R,5R,9R,11S,14R,15R,19R)-5,15-dihydroxy-1,11-bis(methylsulfanyl)-3,13-diazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-6,16-diene-2,8,12,18-tetrone
Other name (4)：
  • エクセロヒロン
  • Exserohilone
  • (4R,4aβ,7aα,11aβ,14aα)-4β,11β-Dihydroxy-6aα,13aα-di(methylthio)-4,4a,6a,7,11,11a,14,14a-octahydro-1H,6H-pyrazino[1,2-a:4,5-a′]diindole-1,6,8,13(7aH,13aH)-tetrone
  • エキセロヒロン
KEGG COMPOUND： C10593
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