Chem
J-GLOBAL ID：200907079441997227   Nikkaji number：J93.391K

Agelasine D

アゲラシンD
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： C26H40N4[N+]
Molecular formula furigana： C26-H40-N5
Molecular weight： 422.640
InChI： InChI=1S/C26H40N5/c1-18(12-15-31-17-30(6)24-22(31)23(27)28-16-29-24)8-10-20-19(2)9-11-21-25(3,4)13-7-14-26(20,21)5/h12,16-17,20-21H,2,7-11,13-15H2,1,3-6H3,(H2,27,28,29)/q+1/b18-12+/t20-,21-,26+/m0/s1
InChI key： KYYRJIBWNZAJDQ-XGBZQHFCSA-N
SMILES： C/C(=C\Cn1c[n+](C)c2ncnc(N)c12)/CC[C@H]1C(=C)CC[C@H]2C(C)(C)CCC[C@]12C
Systematic name  (3)：
  • 6-アミノ-9-メチル-7-[(2E)-3-メチル-5-[(1S,4aα)-デカヒドロ-2-メチレン-5,5,8aβ-トリメチルナフタレン-1β-イル]-2-ペンテニル]-7H-プリン-9-イウム
  • 7-[(2E)-5-[(1S,4aS,8aS)-5,5,8a-トリメチル-2-メチリデン-デカヒドロナフタレン-1-イル]-3-メチルペンタ-2-エン-1-イル]-6-アミノ-9-メチル-7H-プリン-9-イウム
  • 7-[(2E)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl]-6-amino-9-methyl-7H-purin-9-ium
Other name (5)：
  • Agelasine D
  • アゲラシンD
  • 6-Amino-9-methyl-7-[(2E)-3-methyl-5-[(1S,4aα)-decahydro-2-methylene-5,5,8aβ-trimethylnaphthalen-1β-yl]-2-pentenyl]-7H-purin-9-ium
  • (+)-アゲラシンD
  • (+)-Agelasine D
CAS registry number： 92664-80-7
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