Chem
J-GLOBAL ID：200907055014661793   Nikkaji number：J470.640D

Marasmic acid

マラスム酸
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： C15H18O4
Molecular formula furigana： C15-H18-O4
Molecular weight： 262.305
InChI： InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11+,14+,15-/m1/s1
InChI key： BIUVCPLWWOLECJ-WMABBAGQSA-N
SMILES： CC1(C)C[C@H]2C=C(C=O)[C@]34C[C@@]3([C@H]2C1)C(=O)O[C@@H]4O
Systematic name  (4)：
  • (3S)-5aβ,7,8,8aβ-テトラヒドロ-3α-ヒドロキシ-7,7-ジメチル-1-オキソ-3H,6H-3aβ,8bβ-メタノ-1H-インデノ[4,5-c]フラン-4-カルボアルデヒド
  • (3S,3aR,5aS,8aS,8bS)-5a,7,8,8a-テトラヒドロ-3α-ヒドロキシ-7,7-ジメチル-1-オキソ-3H,6H-3a,8b-メタノ-1H-インデノ[4,5-c]フラン-4-カルボアルデヒド
  • (1S,2S,6S,9R,10S)-10-ヒドロキシ-4,4-ジメチル-12-オキソ-11-オキサテトラシクロ[7.3.1.01,9.02,6]トリデカ-7-エン-8-カルバルデヒド
  • (1S,2S,6S,9R,10S)-10-hydroxy-4,4-dimethyl-12-oxo-11-oxatetracyclo[7.3.1.01,9.02,6]tridec-7-ene-8-carbaldehyde
Other name (5)：
  • マラスミン酸
  • Marasmic acid
  • (3S)-5aβ,7,8,8aβ-Tetrahydro-3α-hydroxy-7,7-dimethyl-1-oxo-3H,6H-3aβ,8bβ-methano-1H-indeno[4,5-c]furan-4-carbaldehyde
  • マラスム酸
  • (3S,3aR,5aS,8aS,8bS)-5a,7,8,8a-Tetrahydro-3α-hydroxy-7,7-dimethyl-1-oxo-3H,6H-3a,8b-methano-1H-indeno[4,5-c]furan-4-carbaldehyde
CAS registry number： 2212-99-9
KEGG COMPOUND： C09701
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