Chem
J-GLOBAL ID:200907049385499026   Nikkaji number:J490.200I

Andersonidine

アンデルソニジン
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: C33H46N2O9
Molecular formula furigana: C33-H46-N2-O9
Molecular weight: 614.736
InChI: InChI=1S/C33H46N2O9/c1-6-35-15-30(16-43-28(37)18-9-7-8-10-21(18)34)12-11-23(41-4)32-20-13-19-22(40-3)14-31(38,24(20)25(19)44-17(2)36)33(39,29(32)35)27(42-5)26(30)32/h7-10,19-20,22-27,29,38-39H,6,11-16,34H2,1-5H3/t19-,20-,22+,23+,24-,25+,26-,27+,29+,30+,31-,32+,33?/m1/s1
InChI key: PTCCBUGQYSDZBB-RIMWUQQUSA-N
SMILES: CCN1C[C@]2(COC(=O)c3ccccc3N)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
Systematic name  (4):
  • (16S)-4-[[(2-アミノベンゾイル)オキシ]メチル]-14α-(アセチルオキシ)-20-エチル-1α,6β,16-トリメトキシアコニタン-7,8-ジオール
  • 14α-アセトキシ-4-[(2-アミノベンゾイルオキシ)メチル]-20-エチル-1α,6β,16β-トリメトキシアコニタン-7,8-ジオール
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4-(アセチルオキシ)-11-エチル-8,9-ジヒドロキシ-6,16,18-トリメトキシ-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-13-イル]メチル 2-アミノベンゾアート
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-4-(acetyloxy)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
Other name (6):
  • アンデルソニジン
  • Andersonidine
  • (16S)-4-[[(2-Aminobenzoyl)oxy]methyl]-14α-(acetyloxy)-20-ethyl-1α,6β,16-trimethoxyaconitane-7,8-diol
  • 14α-Acetoxy-4-[(2-aminobenzoyloxy)methyl]-20-ethyl-1α,6β,16β-trimethoxyaconitane-7,8-diol
  • O18-(2-アミノベンゾイル)-O14-アセチルデレクチニン
Show all
Thsaurus map:

Return to Previous Page