Chem
J-GLOBAL ID：200907056808338730   Nikkaji number：J342.191K

Lophotoxin

ロホトキシン
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： C22H24O8
Molecular formula furigana： C22-H24-O8
Molecular weight： 416.426
InChI： InChI=1S/C22H24O8/c1-10(2)12-5-14-13(9-23)6-15(27-14)18-21(4,29-18)8-16-19-22(30-19,20(25)28-16)17(7-12)26-11(3)24/h6,9,12,16-19H,1,5,7-8H2,2-4H3/t12?,16-,17+,18+,19-,21-,22-/m1/s1
InChI key： KGRIGHVGXOOCOY-XKOHQKGJSA-N
SMILES： CC(=O)O[C@H]1CC(Cc2oc(cc2C=O)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@]31O[C@H]23)C(=C)C
Systematic name  (3)：
  • (1R,2S,4S,10R,12R,14R,15R)-2-アセチルオキシ-12-メチル-4-(1-メチルエテニル)-17-オキソ-11,16,18,19-テトラオキサペンタシクロ[12.2.2.16,9.01,15.010,12]ノナデカ-6,8-ジエン-7-カルボアルデヒド
  • (1R,2S,4S,10R,12R,14R,15R)-7-ホルミル-12-メチル-17-オキソ-4-(プロパ-1-エン-2-イル)-11,16,18,19-テトラオキサペンタシクロ[12.2.2.16,9.01,15.010,12]ノナデカ-6,8-ジエン-2-イル アセタート
  • (1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl acetate
Other name (3)：
  • ロホトキシン
  • Lophotoxin
  • (1R,2S,4S,10R,12R,14R,15R)-2-Acetyloxy-12-methyl-4-(1-methylethenyl)-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-diene-7-carbaldehyde
CAS registry number： 78697-56-0
Regulation number (1)：
  • XF0791000
KEGG COMPOUND： C13680
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