Chem
J-GLOBAL ID:200907025928860712   Nikkaji number:J1.481.686K

Macrocarpal O

マクロカルパルO
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)11-22(23-25(32)19(13-29)24(31)20(14-30)26(23)33)28(6)10-9-18-16(3)7-8-17(12-21(18)28)27(4,5)34/h12-18,22,31-34H,7-11H2,1-6H3/t16-,17-,18-,22+,28+/m1/s1
InChI key: VUKIJLQDSQXHDI-HTBABXNNSA-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](C)CC[C@H](C=C12)C(C)(C)O
Systematic name  (3):
  • 5-[(R)-1-[(1R)-1,2,3,3aβ,4,5,6,7-オクタヒドロ-1,4α-ジメチル-7β-(1-メチル-1-ヒドロキシエチル)アズレン-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-ジカルボアルデヒド
  • 5-[(1R)-1-[(1R,3aR,4R,7R)-7-(2-ヒドロキシプロパン-2-イル)-1,4-ジメチル-1,2,3,3a,4,5,6,7-オクタヒドロアズレン-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-[(1R)-1-[(1R,3aR,4R,7R)-7-(2-hydroxypropan-2-yl)-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydroazulen-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
Other name (3):
  • 5-[(R)-1-[(1R)-1,2,3,3aβ,4,5,6,7-Octahydro-1,4α-dimethyl-7β-(1-methyl-1-hydroxyethyl)azulene-1-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
  • マクロカルパルO
  • Macrocarpal O
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