Chem
J-GLOBAL ID：200907038628764210   Nikkaji number：J386.672F

ML-236A

ML-236A
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： C18H26O4
Molecular formula furigana： C18-H26-O4
Molecular weight： 306.402
InChI： InChI=1S/C18H26O4/c1-11-5-6-12-3-2-4-16(20)18(12)15(11)8-7-14-9-13(19)10-17(21)22-14/h3,5-6,11,13-16,18-20H,2,4,7-10H2,1H3/t11-,13+,14+,15-,16-,18-/m0/s1
InChI key： WWSNTLOVYSRDEL-DZSDEGEFSA-N
SMILES： C[C@H]1C=CC2=CCC[C@H](O)[C@@H]2[C@H]1CC[C@@H]1C[C@@H](O)CC(=O)O1
Systematic name  (5)：
  • 6β-[2-[[(1S)-1,2,6,7,8,8aβ-ヘキサヒドロ-8α-ヒドロキシ-2β-メチルナフタレン]-1β-イル]エチル]テトラヒドロ-4α-ヒドロキシ-2H-ピラン-2-オン
  • (4R)-4α-ヒドロキシ-6β-[2-[(1S)-2β-メチル-8α-ヒドロキシ-1,2,6,7,8,8aβ-ヘキサヒドロナフタレン-1β-イル]エチル]テトラヒドロ-2H-ピラン-2-オン
  • (4R)-6β-[2-[(1S)-1,2,6,7,8,8aβ-ヘキサヒドロ-8α-ヒドロキシ-2β-メチルナフタレン-1β-イル]エチル]テトラヒドロ-4α-ヒドロキシ-2H-ピラン-2-オン
  • (4R,6R)-6-{2-[(1S,2S,8S,8aR)-8-ヒドロキシ-2-メチル-1,2,6,7,8,8a-ヘキサヒドロナフタレン-1-イル]エチル}-4-ヒドロキシオキサン-2-オン
  • (4R,6R)-6-{2-[(1S,2S,8S,8aR)-8-hydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
Other name (6)：
  • ML-236A
  • 6β-[2-[[(1S)-1,2,6,7,8,8aβ-Hexahydro-8α-hydroxy-2β-methylnaphthalen]-1β-yl]ethyl]tetrahydro-4α-hydroxy-2H-pyran-2-one
  • (4R)-4α-Hydroxy-6β-[2-[(1S)-2β-methyl-8α-hydroxy-1,2,6,7,8,8aβ-hexahydronaphthalene-1β-yl]ethyl]tetrahydro-2H-pyran-2-one
  • (4R)-6β-[2-[(1S)-1,2,6,7,8,8aβ-Hexahydro-8α-hydroxy-2β-methylnaphthalene-1β-yl]ethyl]tetrahydro-4α-hydroxy-2H-pyran-2-one
  • DesmethylmonacolinJ
Show all
CAS registry number： 58889-19-3
KEGG COMPOUND： C14183
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