Chem
J-GLOBAL ID：200907067809546222   Nikkaji number：J2.355.462C

Leucasperone B

ロイカスペロンB
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： C24H36O7
Molecular formula furigana： C24-H36-O7
Molecular weight： 436.545
InChI： InChI=1S/C24H36O7/c1-8-22(5,29)12-20(28)24(7)14(2)11-18(31-16(4)26)21-17(24)9-10-19(27)23(21,6)13-30-15(3)25/h8,14,18,20,28-29H,1,9-13H2,2-7H3/t14-,18+,20?,22?,23-,24-/m0/s1
InChI key： QIFOGQJGAIFKAU-CPWZQVCFSA-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(O)CC(C)(O)C=C
Systematic name  (3)：
  • 酢酸[(1S)-1β-(1,3-ジヒドロキシ-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
  • [(1S,5S,6S,8R)-8-(アセチルオキシ)-5-(1,3-ジヒドロキシ-3-メチルペンタ-4-エン-1-イル)-1,5,6-トリメチル-2-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]メチル アセタート
  • [(1S,5S,6S,8R)-8-(acetyloxy)-5-(1,3-dihydroxy-3-methylpent-4-en-1-yl)-1,5,6-trimethyl-2-oxo-1,2,3,4,5,6,7,8-octahydronaphthalen-1-yl]methyl acetate
Other name (3)：
  • Acetic acid [(1S)-1β-(1,3-dihydroxy-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 B
  • ロイカスペロンB
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