Chem
J-GLOBAL ID：200907040033962900   Nikkaji number：J1.518.822G

Incarvine C

インカルビンC
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： C21H29NO4
Molecular formula furigana： C21-H29-N-O4
Molecular weight： 359.466
InChI： InChI=1S/C21H29NO4/c1-13-11-22(3)12-17-14(2)19(10-16(13)17)26-21(24)8-6-15-5-7-18(23)20(9-15)25-4/h5-9,13-14,16-17,19,23H,10-12H2,1-4H3/b8-6+/t13-,14-,16-,17-,19+/m0/s1
InChI key： OFDLBJAQGFWTKC-YJVHIDGBSA-N
SMILES： COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3[C@@H](CN(C)C[C@@H]3C)[C@@H]2C)ccc1O
Systematic name  (3)：
  • 3-メトキシ-4-ヒドロキシ-trans-けい皮酸[(4R,4aβ,7aβ)-2,4α,7β-トリメチルオクタヒドロ-1H-シクロペンタ[c]ピリジン]-6β-イル
  • (4R,4aS,6R,7S,7aR)-2,4,7-トリメチル-オクタヒドロ-1H-シクロペンタ[c]ピリジン-6-イル (2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノアート
  • (4R,4aS,6R,7S,7aR)-2,4,7-trimethyl-octahydro-1H-cyclopenta[c]pyridin-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Other name (3)：
  • 3-Methoxy-4-hydroxy-trans-cinnamic acid [(4R,4aβ,7aβ)-2,4α,7β-trimethyloctahydro-1H-cyclopenta[c]pyridine]-6β-yl ester
  • インカルビンC
  • Incarvine C
Thsaurus map：
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