Chem
J-GLOBAL ID：200907004695926931   Nikkaji number：J2.355.461E

Leucasperone A

ロイカスペロン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： C26H38O8
Molecular formula furigana： C26-H38-O8
Molecular weight： 478.582
InChI： InChI=1S/C26H38O8/c1-9-24(6,31)13-22(34-18(5)29)26(8)15(2)12-20(33-17(4)28)23-19(26)10-11-21(30)25(23,7)14-32-16(3)27/h9,15,20,22,31H,1,10-14H2,2-8H3/t15-,20+,22?,24?,25-,26-/m0/s1
InChI key： MFWAONAGQVIAJO-RZABVCLVSA-N
SMILES： C[C@H]1C[C@@H](OC(=O)C)C2=C(CCC(=O)[C@]2(C)COC(=O)C)[C@@]1(C)C(CC(C)(O)C=C)OC(=O)C
Systematic name  (3)：
  • 酢酸[(1S)-1β-(1-アセトキシ-3-ヒドロキシ-3-メチル-4-ペンテニル)-4β-アセトキシ-6-オキソ-1,2β,5-トリメチル-1,2,3,4,5,6,7,8-オクタヒドロナフタレン]-5β-イルメチル
  • 1-[(1S,2S,4R,5S)-4-(アセチルオキシ)-5-[(アセチルオキシ)メチル]-1,2,5-トリメチル-6-オキソ-1,2,3,4,5,6,7,8-オクタヒドロナフタレン-1-イル]-3-ヒドロキシ-3-メチルペンタ-4-エン-1-イル アセタート
  • 1-[(1S,2S,4R,5S)-4-(acetyloxy)-5-[(acetyloxy)methyl]-1,2,5-trimethyl-6-oxo-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]-3-hydroxy-3-methylpent-4-en-1-yl acetate
Other name (3)：
  • Acetic acid [(1S)-1β-(1-acetoxy-3-hydroxy-3-methyl-4-pentenyl)-4β-acetoxy-6-oxo-1,2β,5-trimethyl-1,2,3,4,5,6,7,8-octahydronaphthalene]-5β-ylmethyl ester
  • Leucasperone A
  • ロイカスペロンA
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