Chem
J-GLOBAL ID：201407036770961348   Nikkaji number：J3.304.171C

Allocantharanthine

アロカンタランチン
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： C19H22N2
Molecular formula furigana： C19-H22-N2
Molecular weight： 278.399
InChI： InChI=1S/C19H22N2/c1-2-19-9-7-17-15(11-19)18-14(8-10-21(17)12-19)13-5-3-4-6-16(13)20-18/h3-7,9,15,17,20H,2,8,10-12H2,1H3/t15?,17-,19-/m0/s1
InChI key： AGZADIBIKBLZLJ-UCSNYFEVSA-N
SMILES： CC[C@@]12CC3[C@H](C=C1)N(C2)CCc1c3[nH]c2ccccc12
Systematic name  (3)：
  • (6R,9S)-6-エチル-6,10-メタノ-4,12-ジアザテトラシクロ[9.7.0.04,9.013,18]オクタデカン-1(11),7,13(18),14,16-ペンタエン
  • (15R,18S)-15-エチル-3,13-ジアザペンタシクロ[13.3.1.02,10.04,9.013,18]ノナデカ-2(10),4,6,8,16-ペンタエン
  • (15R,18S)-15-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene
Other name (3)：
  • (6R,9S)-6-Ethyl-6,10-methano-4,12-diazatetracyclo[9.7.0.04,9.013,18]octadecane-1(11),7,13(18),14,16-pentaene
  • アロカンタランチン
  • Allocantharanthine
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