Chem
J-GLOBAL ID：200907013773377515   Nikkaji number：J2.201.499D

Trichurusin J

トリクルシンJ
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： C27H40O7
Molecular formula furigana： C27-H40-O7
Molecular weight： 476.610
InChI： InChI=1S/C27H40O7/c1-7-18(2)14-20(4)15-21(5)27-24(9-11-26(31)34-27)33-25(30)10-8-19(3)16-23(17-28)12-13-32-22(6)29/h7-11,16,20-21,23-24,27-28H,12-15,17H2,1-6H3/b10-8+,18-7+,19-16+/t20-,21-,23-,24+,27+/m0/s1
InChI key： LCDKUZKKOVUODK-RTXPVSPMSA-N
SMILES： C/C=C(\C)/C[C@H](C)C[C@H](C)[C@H]1OC(=O)C=C[C@H]1OC(=O)/C=C/C(=C/[C@@H](CO)CCOC(=O)C)/C
Systematic name  (3)：
  • (2E,4E,6S)-4-メチル-6-(ヒドロキシメチル)-8-アセトキシ-2,4-オクタジエン酸(2R)-2α-[(1S,3R,5E)-1,3,5-トリメチル-5-ヘプテニル]-6-オキソ-3,6-ジヒドロ-2H-ピラン-3α-イル
  • (2R,3R)-2-[(2S,4R,6E)-4,6-ジメチルオクタ-6-エン-2-イル]-6-オキソ-3,6-ジヒドロ-2H-ピラン-3-イル (2E,4E,6S)-8-(アセチルオキシ)-6-(ヒドロキシメチル)-4-メチルオクタ-2,4-ジエノアート
  • (2R,3R)-2-[(2S,4R,6E)-4,6-dimethyloct-6-en-2-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E,4E,6S)-8-(acetyloxy)-6-(hydroxymethyl)-4-methylocta-2,4-dienoate
Other name (3)：
  • (2E,4E,6S)-4-Methyl-6-(hydroxymethyl)-8-acetoxy-2,4-octadienoic acid (2R)-2α-[(1S,3R,5E)-1,3,5-trimethyl-5-heptenyl]-6-oxo-3,6-dihydro-2H-pyran-3α-yl ester
  • トリクルシンJ
  • Trichurusin J
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