Chem
J-GLOBAL ID：200907041396143389   Nikkaji number：J342.420K

Herbicidin B

ヘルビシジン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： C18H23N5O9
Molecular formula furigana： C18-H23-N5-O9
Molecular weight： 453.408
InChI： InChI=1S/C18H23N5O9/c1-28-12-10-6(30-16(12)23-5-22-8-14(19)20-4-21-15(8)23)3-7-18(27,32-10)13(25)9(24)11(31-7)17(26)29-2/h4-7,9-13,16,24-25,27H,3H2,1-2H3,(H2,19,20,21)/t6-,7-,9-,10+,11+,12-,13+,16-,18+/m1/s1
InChI key： GZBSICLBZYSADI-FVBLKVBKSA-N
SMILES： CO[C@@H]1[C@H]2O[C@@]3(O)[C@@H](C[C@H]2O[C@H]1n1cnc2c(N)ncnc12)O[C@@H]([C@@H](O)[C@@H]3O)C(=O)OC
Systematic name  (3)：
  • (11R)-11-C-(6-アミノ-9H-プリン-9-イル)-2,6:8,11-ジアンヒドロ-10-O-メチル-7-デオキシ-α-L-ido-D-lyxo-5-ウンデクロ-5,9-ピラノソン酸メチル
  • メチル (1R,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-アミノ-9H-プリン-9-イル)-1,12,13-トリヒドロキシ-4-メトキシ-2,6,10-トリオキサトリシクロ[7.4.0.03,7]トリデカン-11-カルボキシラート
  • methyl (1R,3S,4R,5R,7R,9R,11S,12S,13S)-5-(6-amino-9H-purin-9-yl)-1,12,13-trihydroxy-4-methoxy-2,6,10-trioxatricyclo[7.4.0.03,7]tridecane-11-carboxylate
Other name (4)：
  • ヘルビシジンB
  • Herbicidin B
  • (11R)-11-C-(6-Amino-9H-purin-9-yl)-2,6:8,11-dianhydro-10-O-methyl-7-deoxy-α-L-ido-D-lyxo-5-undecoulo-5,9-pyranosonic acid methyl ester
  • ハービシジンB
CAS registry number： 55353-32-7
Regulation number (1)：
  • MK3765000
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