Chem
J-GLOBAL ID：200907049907699411   Nikkaji number：J2.280.701C

Isosalviamine C

イソサルビアミンC
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： C23H19NO4
Molecular formula furigana： C23-H19-N-O4
Molecular weight： 373.408
InChI： InChI=1S/C23H19NO4/c1-12-5-4-6-15-14(12)7-8-16-20(15)21-23(19-13(2)11-27-22(16)19)28-17(24-21)9-10-18(25)26-3/h4-8,11H,9-10H2,1-3H3
InChI key： GPXRNFPBXPTCPZ-UHFFFAOYSA-N
SMILES： COC(=O)CCc1nc2c(o1)c1c(C)coc1c1ccc3c(C)cccc3c21
Systematic name  (3)：
  • 4,9-ジメチル-3,6-ジオキサ-1-アザジシクロペンタ[a,c]フェナントレン-2-プロパン酸メチル
  • メチル 3-{5,17-ジメチル-3,8-ジオキサ-10-アザペンタシクロ[10.8.0.02,6.07,11.013,18]イコサ-1(12),2(6),4,7(11),9,13,15,17,19-ノナエン-9-イル}プロパノアート
  • methyl 3-{5,17-dimethyl-3,8-dioxa-10-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),9,13,15,17,19-nonaen-9-yl}propanoate
Other name (3)：
  • 4,9-Dimethyl-3,6-dioxa-1-azadicyclopenta[a,c]phenanthrene-2-propanoic acid methyl ester
  • イソサルビアミンC
  • Isosalviamine C
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