Chem
J-GLOBAL ID：200907075572048403   Nikkaji number：J17.243J

Jatrophone

ジャトロホン
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： C20H24O3
Molecular formula furigana： C20-H24-O3
Molecular weight： 312.409
InChI： InChI=1S/C20H24O3/c1-12-8-15-9-13(2)16(21)6-7-19(4,5)11-17-14(3)18(22)20(15,10-12)23-17/h6-9,12H,10-11H2,1-5H3/b7-6-,13-9-/t12-,20+/m0/s1
InChI key： MJNNONLDVCCGCA-NNFBGVLYSA-N
SMILES： C[C@@H]1C[C@@]23OC(=C(C)C3=O)CC(C)(C)/C=C\C(=O)/C(=C\C2=C1)/C
Systematic name  (3)：
  • (2R,3aR,9E,12Z)-2,3,7,8-テトラヒドロ-2,5,8,8,12-ペンタメチル-3a,6-エポキシ-3aH-シクロペンタシクロドデセン-4,11-ジオン
  • (1R,3R,6Z,9Z)-3,7,11,11,14-ペンタメチル-16-オキサトリシクロ[11.2.1.01,5]ヘキサデカ-4,6,9,13-テトラエン-8,15-ジオン
  • (1R,3R,6Z,9Z)-3,7,11,11,14-pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,6,9,13-tetraene-8,15-dione
Other name (3)：
  • ジャトロホン
  • Jatrophone
  • (2R,3aR,9E,12Z)-2,3,7,8-Tetrahydro-2,5,8,8,12-pentamethyl-3a,6-epoxy-3aH-cyclopentacyclododecene-4,11-dione
CAS registry number： 29444-03-9
KEGG COMPOUND： C09120
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