Chem
J-GLOBAL ID:200907051197656151   Nikkaji number:J2.150.184K

(13R)-6α,16α-Dimethoxy-4β-(methoxymethyl)-20-ethyl-12,14-cyclo-12,13-secoaconitane-3α,8β,13-triol

(13R)-6α,16α-ジメトキシ-4β-(メトキシメチル)-20-エチル-12,14-シクロ-12,13-セコアコニタン-3α,8β,13-トリオール
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: C24H39NO6
Molecular formula furigana: C24-H39-N-O6
Molecular weight: 437.577
InChI: InChI=1S/C24H39NO6/c1-5-25-10-22(11-29-2)15(26)6-7-23-13-8-12-16(13)24(28,9-14(30-3)18(12)27)17(21(23)25)19(31-4)20(22)23/h12-21,26-28H,5-11H2,1-4H3/t12?,13-,14-,15?,16+,17+,18-,19+,20-,21-,22+,23-,24-/m1/s1
InChI key: UBDVGVGXIGAHAQ-VOYLPSANSA-N
SMILES: CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@]3(CCC2O)[C@@H]1CC2[C@@H]1[C@]4(O)C[C@@H](OC)[C@@H]2O
Systematic name  (3):
  • (13R)-6α,16α-ジメトキシ-4β-(メトキシメチル)-20-エチル-12,14-シクロ-12,13-セコアコニタン-3α,8β,13-トリオール
  • (1R,2R,3R,5R,6R,8R,9R,10R,13R,14R,17S,18R)-11-エチル-6,18-ジメトキシ-13-(メトキシメチル)-11-アザヘキサシクロ[7.7.2.12,4.01,10.03,8.013,17]ノナデカン-5,8,14-トリオール
  • (1R,2R,3R,5R,6R,8R,9R,10R,13R,14R,17S,18R)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,4.01,10.03,8.013,17]nonadecane-5,8,14-triol
Other name (1):
  • (13R)-6α,16α-Dimethoxy-4β-(methoxymethyl)-20-ethyl-12,14-cyclo-12,13-secoaconitane-3α,8β,13-triol
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