Chem
J-GLOBAL ID：200907051214333574   Nikkaji number：J40.042D

Browniine

ブロウニイン
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： C25H41NO7
Molecular formula furigana： C25-H41-N-O7
Molecular weight： 467.603
InChI： InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(32-4)24-14-9-13-15(31-3)10-23(28,17(14)18(13)27)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15+,16?,17-,18+,19-,20+,21+,22+,23-,24+,25?/m1/s1
InChI key： MODXUQZMEBLSJD-DUKDHRKCSA-N
SMILES： CCN1C[C@]2(COC)CCC(OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
Systematic name  (3)：
  • 20-エチル-1α,6β,16β-トリメトキシ-4-(メトキシメチル)アコニタン-7,8,14α-トリオール
  • (1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-エチル-6,16,18-トリメトキシ-13-(メトキシメチル)-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-4,8,9-トリオール
  • (1S,2R,3R,4S,5S,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9-triol
Other name (4)：
  • ブロウニイン
  • Browniine
  • 20-Ethyl-1α,6β,16β-trimethoxy-4-(methoxymethyl)aconitane-7,8,14α-triol
  • ブラウニイン
CAS registry number： 5140-42-1
KEGG COMPOUND： C08665
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