Chem
J-GLOBAL ID：200907068033869898   Nikkaji number：J2.766.472E

Cardiopetalidine

カルジオペタリジン
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： C21H33NO4
Molecular formula furigana： C21-H33-N-O4
Molecular weight： 363.498
InChI： InChI=1S/C21H33NO4/c1-3-22-10-18(2)6-5-14(23)21-12-8-11-4-7-19(25,15(12)16(11)24)20(26,17(21)22)9-13(18)21/h11-17,23-26H,3-10H2,1-2H3/t11-,12+,13+,14-,15+,16-,17+,18-,19+,20?,21+/m0/s1
InChI key： AIQHURFKXYCRCF-AJNLMMJCSA-N
SMILES： CCN1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6O)[C@](O)(C[C@H]23)[C@@H]14
Systematic name  (3)：
  • 20-エチル-4-メチルアコニタン1α,7,8,14α-テトラオール
  • (1S,2R,3R,4S,5S,8R,9R,10S,13R,16S,17R)-11-エチル-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-4,8,9,16-テトラオール
  • (1S,2R,3R,4S,5S,8R,9R,10S,13R,16S,17R)-11-ethyl-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,9,16-tetrol
Other name (3)：
  • 20-Ethyl-4-methylaconitane 1α,7,8,14α-tetraol
  • Cardiopetalidine
  • カルジオペタリジン
CAS registry number： 75375-44-9
KEGG COMPOUND： C08667
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