Chem
J-GLOBAL ID：200907001723823745   Nikkaji number：J6.427K

Neriine

ネリイン
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： C24H40N2
Molecular formula furigana： C24-H40-N2
Molecular weight： 356.598
InChI： InChI=1S/C24H40N2/c1-16-20-8-9-22-19-7-6-17-14-18(25(3)4)10-12-23(17,2)21(19)11-13-24(20,22)15-26(16)5/h6,16,18-22H,7-15H2,1-5H3/t16-,18-,19+,20+,21-,22-,23-,24-/m0/s1
InChI key： GPLGAQQQNWMVMM-MYAJQUOBSA-N
SMILES： C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23CN1C)N(C)C
Systematic name  (3)：
  • 3β-(ジメチルアミノ)コナニン-5-エン
  • (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-ペンタメチル-7-アザペンタシクロ[10.8.0.02,9.05,9.013,18]イコサ-18-エン-16-アミン
  • (1R,2S,5S,6S,9R,12S,13R,16S)-N,N,6,7,13-pentamethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
Other name (6)：
  • コネシン
  • ネリイン
  • Neriine
  • Conessine
  • 3β-(Dimethylamino)conanin-5-ene
Show all
CAS registry number： 546-06-5
Regulation number (1)：
  • EINECS2088972
KEGG COMPOUND： C06545
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