Chem
J-GLOBAL ID:200907067661981099
Nikkaji number:J125.923G
HT-2 Toxin
HT-2トキシン
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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:
C22 H32 O8
Molecular formula furigana:
C22-H32-O8
Molecular weight:
424.490
InChI:
InChI=1S/C22H32O8/c1-11(2)6-16(24)29-14-8-21(9-27-13(4)23)15(7-12(14)3)30-19-17(25)18(26)20(21,5)22(19)10-28-22/h7,11,14-15,17-19,25-26H,6,8-10H2,1-5H3/t14-,15+,17+,18+,19+,20+,21+,22-/m0/s1
InChI key:
PNKLMTPXERFKEN-MLXHEQMXSA-N
SMILES:
CC(C)CC(=O)O[C@H]1C[C@@]2(COC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@]2(C)[C@@]23CO2)C=C1C
Systematic name (4):
12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオール15-アセタート8-イソバレラート
12,13-エポキシトリコテカ-9-エン-3α,4β,8α,15-テトラオール15-アセタート8-(3-メチルブタノアート)
(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-[(アセチルオキシ)メチル]-10',11'-ジヒドロキシ-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'-イル 3-メチルブタノアート
(1'S,2S,2'R,4'S,7'R,9'R,10'R,11'S)-2'-[(acetyloxy)methyl]-10',11'-dihydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7 ]dodecan]-5'-en-4'-yl 3-methylbutanoate
Other name (9):
トキシンHT-2
ミコトキシンHT-2
マイコトキシンHT-2
HT-2トキシン
HT-2 Toxin
Mycotoxin HT-2
HT-2
Toxin HT-2
12,13-Epoxytrichothec-9-ene-3α,4β,8α,15-tetrol 15-acetate 8-(3-methylbutanoate)
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CAS registry number:
26934-87-2
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