Chem
J-GLOBAL ID：200907029132209764   Nikkaji number：J34.267J

Nigakilactone M

ニガキラクトンM
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： C21H30O7
Molecular formula furigana： C21-H30-O7
Molecular weight： 394.464
InChI： InChI=1S/C21H30O7/c1-9-6-12(27-5)18(25)19(3)11(9)7-13-20(4)17(19)16(24)15(23)10(2)21(20,26)8-14(22)28-13/h6,9-11,13,15-17,23-24,26H,7-8H2,1-5H3/t9-,10+,11+,13-,15+,16-,17-,19+,20-,21-/m1/s1
InChI key： JTUXCVKEZIPSKW-WMJZPHELSA-N
SMILES： COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C
Systematic name  (3)：
  • 11α,12β,14-トリヒドロキシ-2-メトキシピクラサ-2-エン-1,16-ジオン
  • (1S,2S,6S,7S,9R,13R,14S,15S,16S,17S)-13,15,16-トリヒドロキシ-4-メトキシ-2,6,14,17-テトラメチル-10-オキサテトラシクロ[7.7.1.02,7.013,17]ヘプタデカ-4-エン-3,11-ジオン
  • (1S,2S,6S,7S,9R,13R,14S,15S,16S,17S)-13,15,16-trihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione
Other name (3)：
  • ニガキラクトンM
  • Nigakilactone M
  • 11α,12β,14-Trihydroxy-2-methoxypicras-2-ene-1,16-dione
CAS registry number： 37812-54-7
KEGG COMPOUND： C17035
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