Chem
J-GLOBAL ID：200907090170473328   Nikkaji number：J15.723F

Anacrotine

アナクロチン
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： C18H25NO6
Molecular formula furigana： C18-H25-N-O6
Molecular weight： 351.399
InChI： InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4-/t10-,13-,14-,15-,18-/m1/s1
InChI key： NPYPUYCITBTPSF-TZCAYXSXSA-N
SMILES： C/C=C\1/C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3C[C@@H](O)[C@@H](OC1=O)[C@@H]23
Systematic name  (3)：
  • 6β,12-ジヒドロキシセネシオナン-11,16-ジオン
  • (1S,4Z,6R,7R,16R,17R)-4-エチリデン-7,16-ジヒドロキシ-6,7-ジメチル-2,9-ジオキサ-14-アザトリシクロ[9.5.1.014,17]ヘプタデカ-11-エン-3,8-ジオン
  • (1S,4Z,6R,7R,16R,17R)-4-ethylidene-7,16-dihydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Other name (5)：
  • アナクロチン
  • クロタラブルニン
  • Anacrotine
  • Crotalaburnine
  • 6β,12-Dihydroxysenecionan-11,16-dione
CAS registry number： 5096-49-1
Regulation number (1)：
  • VT5707000
KEGG COMPOUND： C10277
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