Chem
J-GLOBAL ID：200907001160945237   Nikkaji number：J2.777.549G

1,2-Dihydrovomilenine

1,2-ジヒドロボミレニン
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： C21H24N2O3
Molecular formula furigana： C21-H24-N2-O3
Molecular weight： 352.434
InChI： InChI=1S/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3/t12-,15-,16-,17-,18-,19+,20+,21+/m0/s1
InChI key： DRMGJVPVCAJMDJ-BJPKSMGASA-N
SMILES： CC=C1[C@@H](O)N2[C@H]3C[C@]45[C@@H](Nc6ccccc46)[C@@H]2C[C@@H]1[C@@H]3[C@H]5OC(=O)C
Systematic name  (3)：
  • (17R,21R)-19,20-ジデヒドロ-22-ノルアジュマラン-17,21-ジオール17-アセタート
  • (1R,9R,10S,12R,14R,16S,17S,18R)-13-エチリデン-14-ヒドロキシ-8,15-ジアザヘキサシクロ[14.2.1.01,9.02,7.010,15.012,17]ノナデカ-2,4,6-トリエン-18-イル アセタート
  • (1R,9R,10S,12R,14R,16S,17S,18R)-13-ethylidene-14-hydroxy-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl acetate
Other name (4)：
  • (17R,21R)-19,20-Didehydro-22-norajmalan-17,21-diol 17-acetate
  • 1,2-Dihydrovomilenine
  • 1,2-ジヒドロボミレニン
  • 2-beta-(R)-1,2-Dihydrovomilenine
KEGG COMPOUND： C11808
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