Chem
J-GLOBAL ID：200907007777765480   Nikkaji number：J512.147G

Trachelogenin

トラケロゲニン
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： C21H24O7
Molecular formula furigana： C21-H24-O7
Molecular weight： 388.416
InChI： InChI=1S/C21H24O7/c1-25-17-7-5-13(9-19(17)27-3)8-15-12-28-20(23)21(15,24)11-14-4-6-16(22)18(10-14)26-2/h4-7,9-10,15,22,24H,8,11-12H2,1-3H3/t15-,21-/m0/s1
InChI key： YFVZKLQNMNKWSB-BTYIYWSLSA-N
SMILES： COc1cc(C[C@]2(O)[C@@H](Cc3ccc(OC)c(OC)c3)COC2=O)ccc1O
Systematic name  (4)：
  • (3S)-4,5-ジヒドロ-3β-ヒドロキシ-3-(4-ヒドロキシ-3-メトキシベンジル)-4β-(3,4-ジメトキシベンジル)-2(3H)-フラノン
  • (3S,4S)-ジヒドロ-3-ヒドロキシ-3-[(4-ヒドロキシ-3-メトキシフェニル)メチル]-4-[(3,4-ジメトキシフェニル)メチル]フラン-2(3H)-オン
  • (3S,4S)-4-[(3,4-ジメトキシフェニル)メチル]-3-ヒドロキシ-3-[(4-ヒドロキシ-3-メトキシフェニル)メチル]オキソラン-2-オン
  • (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Other name (4)：
  • トラケロゲニン
  • Trachelogenin
  • (3S,4S)-Dihydro-3-hydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(3,4-dimethoxyphenyl)methyl]furan-2(3H)-one
  • (3S)-4,5-Dihydro-3β-hydroxy-3-(4-hydroxy-3-methoxybenzyl)-4β-(3,4-dimethoxybenzyl)-2(3H)-furanone
CAS registry number： 34209-69-3
KEGG COMPOUND： C10891
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