Chem
J-GLOBAL ID：200907080075810435   Nikkaji number：J857.847H

Macrocarpal H

マクロカルパールH
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： C28H40O6
Molecular formula furigana： C28-H40-O6
Molecular weight： 472.622
InChI： InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18+,21+,22+,28+/m1/s1
InChI key： OOAOETHJYYAVCC-GNLPDQNGSA-N
SMILES： CC(C)C[C@@H]([C@@H]1CCC(=C)[C@@H]2C[C@@H](CC[C@@]12C)C(C)(C)O)c1c(O)c(C=O)c(O)c(C=O)c1O
Systematic name  (3)：
  • 2,4,6-トリヒドロキシ-5-[(S)-1-[(1S,4aβ)-4-メチレン-6α-(1-ヒドロキシ-1-メチルエチル)-8aα-メチルデカリン-1α-イル]-3-メチルブチル]イソフタルアルデヒド
  • 5-[(1S)-1-[(1S,4aS,6R,8aS)-6-(2-ヒドロキシプロパン-2-イル)-8a-メチル-4-メチリデン-デカヒドロナフタレン-1-イル]-3-メチルブチル]-2,4,6-トリヒドロキシベンゼン-1,3-ジカルバルデヒド
  • 5-[(1S)-1-[(1S,4aS,6R,8aS)-6-(2-hydroxypropan-2-yl)-8a-methyl-4-methylidene-decahydronaphthalen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Other name (3)：
  • マクロカルパールH
  • Macrocarpal H
  • 2,4,6-Trihydroxy-5-[(S)-1-[(1S,4aβ)-4-methylene-6α-(1-hydroxy-1-methylethyl)-8aα-methyldecalin-1α-yl]-3-methylbutyl]isophthalaldehyde
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