Chem
J-GLOBAL ID:200907048229784334   Nikkaji number:J2.079.947A

(16S)-1α,6β,14α,16-Tetramethoxy-4-(acetoxymethyl)-20-acetylaconitane-7,8-diol

(16S)-1α,6β,14α,16-テトラメトキシ-4-(アセトキシメチル)-20-アセチルアコニタン-7,8-ジオール
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: C27H41NO9
Molecular formula furigana: C27-H41-N-O9
Molecular weight: 523.623
InChI: InChI=1S/C27H41NO9/c1-13(29)28-11-24(12-37-14(2)30)8-7-18(34-4)26-16-9-15-17(33-3)10-25(31,19(16)20(15)35-5)27(32,23(26)28)22(36-6)21(24)26/h15-23,31-32H,7-12H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1
InChI key: XIDZRTDHMCGGQO-JJQLKCKLSA-N
SMILES: CO[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@H]2[C@@]43[C@@H]1N(C[C@]2(COC(=O)C)CC[C@@H]4OC)C(=O)C
Systematic name  (3):
  • (16S)-1α,6β,14α,16-テトラメトキシ-4-(アセトキシメチル)-20-アセチルアコニタン-7,8-ジオール
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-アセチル-8,9-ジヒドロキシ-4,6,16,18-テトラメトキシ-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 アセタート
  • [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-acetyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl acetate
Other name (1):
  • (16S)-1α,6β,14α,16-Tetramethoxy-4-(acetoxymethyl)-20-acetylaconitane-7,8-diol
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