Chem
J-GLOBAL ID：200907062587016821   Nikkaji number：J6.247B

Delsoline

デルソリン
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(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)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： JVBLTQQBEQQLEV-QNITWFEASA-N
SMILES： CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[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-6β,14α,16β-トリメトキシ-4-(メトキシメチル)アコニタン-1α,7,8-トリオール
  • (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-エチル-4,6,18-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-8,9,16-トリオール
  • (1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-4,6,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,9,16-triol
Other name (5)：
  • アコモニン
  • デルソリン
  • Acomonine
  • Delsoline
  • 20-Ethyl-6β,14α,16β-trimethoxy-4-(methoxymethyl)aconitane-1α,7,8-triol
CAS registry number： 509-18-2
KEGG COMPOUND： C08678
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