Chem
J-GLOBAL ID:201107010683891367
Nikkaji number:J2.954.864A
3-epi-deoxynivalenol
3-epi-デオキシニバレノール
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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:
C15 H20 O6
Molecular formula furigana:
C15-H20-O6
Molecular weight:
296.319
InChI:
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9+,11+,12+,13+,14+,15-/m0/s1
InChI key:
LINOMUASTDIRTM-XMYRJTDVSA-N
SMILES:
CC1=C[C@H]2O[C@@H]3[C@@H](O)C[C@@](C)([C@@]43CO4)[C@@]2(CO)[C@H](O)C1=O
Systematic name (3):
3β,7α,15-トリヒドロキシ-12,13-エポキシトリコテカ-9-エン-8-オン
(1'R,2S,2'R,3'S,7'R,9'R,10'S)-3',10'-ジヒドロキシ-2'-(ヒドロキシメチル)-1',5'-ジメチル-8'-オキサスピロ[オキシラン-2,12'-トリシクロ[7.2.1.02,7 ]ドデカン]-5'-エン-4'-オン
(1'R,2S,2'R,3'S,7'R,9'R,10'S)-3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7 ]dodecan]-5'-en-4'-one
Other name (3):
3β,7α,15-Trihydroxy-12,13-epoxytrichotheca-9-ene-8-one
3-epi-デオキシニバレノール
3-epi-deoxynivalenol
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