Chem
J-GLOBAL ID:200907038605573913   Nikkaji number:J2.772.236I

Angularine

アングラリン
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)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,12-15,20,23H,2,5-9H2,1,3H3/b11-4-/t12-,13+,14+,15+,18+/m0/s1
InChI key: MCWACAVORNFEFS-HMNNQIDUSA-N
SMILES: C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
Systematic name  (3):
  • (1S,2S,7R,8R,12R,15Z)-13,19-ジデヒドロ-1,2-ジヒドロ-2,12-ジヒドロキシセネシオナン-11,16-ジオン
  • (1R,4Z,7R,11S,12S,17R)-4-エチリデン-7,12-ジヒドロキシ-7-メチル-6-メチリデン-2,9-ジオキサ-14-アザトリシクロ[9.5.1.014,17]ヘプタデカン-3,8-ジオン
  • (1R,4Z,7R,11S,12S,17R)-4-ethylidene-7,12-dihydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione
Other name (3):
  • (1S,2S,7R,8R,12R,15Z)-13,19-Didehydro-1,2-dihydro-2,12-dihydroxysenecionan-11,16-dione
  • Angularine
  • アングラリン
CAS registry number: 1354-37-6
KEGG COMPOUND: C10279
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