Chem
J-GLOBAL ID：200907025146123670   Nikkaji number：J390.759G

Macrocarpal A

マクロカルパールA
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/c1-14(2)11-19(20-24(32)15(12-29)23(31)16(13-30)25(20)33)27(5)9-7-18-22(27)21-17(26(21,3)4)8-10-28(18,6)34/h12-14,17-19,21-22,31-34H,7-11H2,1-6H3/t17-,18-,19+,21-,22-,27-,28-/m1/s1
InChI key： IBLPTYJTKWQCDX-MOTAWSDJSA-N
SMILES： CC(C)C[C@@H](c1c(O)c(C=O)c(O)c(C=O)c1O)[C@@]1(C)CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C
Systematic name  (4)：
  • (1aR,4aβ,7aα,7bβ)-デカヒドロ-1,1,4,7-テトラメチル-7α-[(R)-2,4,6-トリヒドロキシ-3,5-ジホルミル-α-(2-メチルプロピル)ベンジル]-1H-シクロプロパ[e]アズレン-4β-オール
  • 2,4,6-トリヒドロキシ-5-[(1R)-1-[(1aβ,4R,4aβ,7aα,7bβ)-1,1,4,7-テトラメチル-4β-ヒドロキシデカヒドロ-1H-シクロプロパ[e]アズレン-7α-イル]-3-メチルブチル]イソフタルアルデヒド
  • 5-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-ヒドロキシ-1,1,4,7-テトラメチル-デカヒドロ-1H-シクロプロパ[e]アズレン-7-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-[(1R)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-hydroxy-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Other name (4)：
  • Macrocarpal A
  • マクロカルパールA
  • (1aR,4aβ,7aα,7bβ)-Decahydro-1,1,4,7-tetramethyl-7α-[(R)-2,4,6-trihydroxy-3,5-diformyl-α-(2-methylpropyl)benzyl]-1H-cycloprop[e]azulen-4β-ol
  • 2,4,6-Trihydroxy-5-[(1R)-1-[(1aβ,4R,4aβ,7aα,7bβ)-1,1,4,7-tetramethyl-4β-hydroxydecahydro-1H-cyclopropa[e]azulene-7α-yl]-3-methylbutyl]isophthalaldehyde
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