Chem
J-GLOBAL ID：200907053942398863   Nikkaji number：J17.652D

Karacoline

カラコリン
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： C22H35NO4
Molecular formula furigana： C22-H35-N-O4
Molecular weight： 377.525
InChI： InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1
InChI key： HKQZUYOVMYOFIT-JEJCSOMWSA-N
SMILES： CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14
Systematic name  (4)：
  • 20-エチル-16β-メトキシ-4-メチルアコニタン-1α,8,14α-トリオール
  • (16S)-20-エチル-16-メトキシ-4-メチルアコニタン-1α,8,14α-トリオール
  • (1S,2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-エチル-6-メトキシ-13-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-4,8,16-トリオール
  • (1S,2R,3R,4S,5S,6S,8S,9S,10R,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
Other name (4)：
  • カラコリン
  • Karacoline
  • (16S)-20-Ethyl-16-methoxy-4-methylaconitane-1α,8,14α-triol
  • Karakoline
CAS registry number： 39089-30-0
KEGG COMPOUND： C08693
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