Chem
J-GLOBAL ID：200907042728696340   Nikkaji number：J9.259B

Jacobine

ジャコビン
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/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18-/m1/s1
InChI key： IAPHXJRHXBQDQJ-OCUBZGOOSA-N
SMILES： C[C@@H]1O[C@@]21C[C@@H](C)[C@@](C)(O)C(=O)OCC1=CCN3CC[C@@H](OC2=O)[C@@H]13
Systematic name  (4)：
  • (15R,20S)-15,20-ジヒドロ-15,20-エポキシ-12-ヒドロキシセネシオナン-11,16-ジオン
  • (20S)-15α,20-エポキシ-15,20-ジヒドロ-12-ヒドロキシセネシオナン-11,16-ジオン
  • (1'R,2R,3S,6'R,7'R,17'R)-7'-ヒドロキシ-3,6',7'-トリメチル-2',9'-ジオキサ-14'-アザスピロ[オキシラン-2,4'-トリシクロ[9.5.1.014,17]ヘプタデカン]-11'-エン-3',8'-ジオン
  • (1'R,2R,3S,6'R,7'R,17'R)-7'-hydroxy-3,6',7'-trimethyl-2',9'-dioxa-14'-azaspiro[oxirane-2,4'-tricyclo[9.5.1.014,17]heptadecan]-11'-ene-3',8'-dione
Other name (5)：
  • ジャコビン
  • Jacobine
  • (20S)-15α,20-Epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione
  • NSC-89936
  • (15R,20S)-15,20-Dihydro-15,20-epoxy-12-hydroxysenecionan-11,16-dione
CAS registry number： 6870-67-3
Regulation number (1)：
  • NY5775000
KEGG COMPOUND： C10339
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