Chem
J-GLOBAL ID：200907049035976034   Nikkaji number：J18.870K

Huratoxin

フラトキシン
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： C34H48O8
Molecular formula furigana： C34-H48-O8
Molecular weight： 584.750
InChI： InChI=1S/C34H48O8/c1-6-7-8-9-10-11-12-13-14-15-16-17-32-40-27-25-28-31(20-35,39-28)29(37)33(38)24(18-22(4)26(33)36)34(25,42-32)23(5)19-30(27,41-32)21(2)3/h14-18,23-25,27-29,35,37-38H,2,6-13,19-20H2,1,3-5H3/t23-,24-,25-,27-,28+,29-,30-,31+,32-,33-,34+/m1/s1
InChI key： VWGORPXMXKBHER-ZVPXFPGVSA-N
SMILES： CCCCCCCCCC=CC=C[C@]12O[C@@H]3[C@@H]4[C@@H]5O[C@]5(CO)[C@@H](O)[C@@]5(O)[C@@H](C=C(C)C5=O)[C@@]4(O1)[C@H](C)C[C@@]3(O2)C(=C)C
Systematic name  (3)：
  • (2S,3aβ,3bβ,3cβ,8aα)-3a,3b,3c,4a,5,5a,8a,9,10,10a-デカヒドロ-5β,5aβ-ジヒドロキシ-4aβ-(ヒドロキシメチル)-7,9α-ジメチル-10aβ-(1-メチルビニル)-2-(1,3-トリデカジエニル)-6H-2α,8bα-エポキシオキシレノ[6,7]アズレノ[5,4-e]-1,3-ベンゾジオキソール-6-オン
  • (1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-ジヒドロキシ-8-(ヒドロキシメチル)-4,18-ジメチル-16-(プロパ-1-エン-2-イル)-14-(トリデカ-1,3-ジエン-1-イル)-9,13,15,19-テトラオキサヘキサシクロ[12.4.1.01,11.02,6.08,10.012,16]ノナデカ-3-エン-5-オン
  • (1R,2R,6S,7S,8R,10S,11S,12R,14S,16R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-16-(prop-1-en-2-yl)-14-(trideca-1,3-dien-1-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-5-one
Other name (3)：
  • フラトキシン
  • Huratoxin
  • (2S,3aβ,3bβ,3cβ,8aα)-3a,3b,3c,4a,5,5a,8a,9,10,10a-Decahydro-5β,5aβ-dihydroxy-4aβ-(hydroxymethyl)-7,9α-dimethyl-10aβ-(1-methylvinyl)-2-(1,3-tridecadienyl)-6H-2α,8bα-epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one
CAS registry number： 33465-16-6
KEGG COMPOUND： C09108
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