Chem
J-GLOBAL ID：200907080730142165   Nikkaji number：J391.823H

Talatisamine

タラチサミン
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： C24H39NO5
Molecular formula furigana： C24-H39-N-O5
Molecular weight： 421.578
InChI： InChI=1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3/t13-,14-,15+,16+,17-,18+,19-,20+,21-,22+,23+,24-/m1/s1
InChI key： BDCURAWBZJMFIK-OGVVJMRYSA-N
SMILES： CCN1C[C@]2(COC)CC[C@H](OC)[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  (3)：
  • 20-エチル-1α,16β-ジメトキシ-4-(メトキシメチル)アコニタン-8,14α-ジオール
  • (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-エチル-6,16-ジメトキシ-13-(メトキシメチル)-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-4,8-ジオール
  • (1S,2R,3R,4S,5S,6S,8S,9S,10R,13S,16S,17R)-11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol
Other name (5)：
  • Talatisamine
  • タラチサミン
  • 20-Ethyl-1α,16β-dimethoxy-4-(methoxymethyl)aconitane-8,14α-diol
  • タラチザミン
  • Talatizamine
CAS registry number： 20501-56-8
KEGG COMPOUND： C08713
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