Chem
J-GLOBAL ID：200907014405382890   Nikkaji number：J1.986.666A

Isoxeniatriasetate

イソキセニアトリアセタート
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： C26H38O7
Molecular formula furigana： C26-H38-O7
Molecular weight： 462.583
InChI： InChI=1S/C26H38O7/c1-17-10-11-24(22(15-31-19(3)27)9-8-12-26(6,7)30)25(16-32-20(4)28)18(2)14-23(13-17)33-21(5)29/h8-9,12-13,23-25,30H,2,10-11,14-16H2,1,3-7H3/b12-8+,17-13+,22-9+/t23-,24+,25-/m0/s1
InChI key： VQPRHUWKHWQGBZ-GMAOUTNNSA-N
SMILES： CC(=O)OC[C@@H]1[C@H](CC/C(=C/[C@@H](CC1=C)OC(=O)C)/C)/C(=C/C=C/C(C)(C)O)/COC(=O)C
Systematic name  (3)：
  • (3E,5Z)-2-メチル-6-[(1β,4E)-4-メチル-6α-アセトキシ-8-メチレン-9α-(アセトキシメチル)-4-シクロノネニル]-7-アセトキシ-3,5-ヘプタジエン-2-オール
  • (2Z,4E)-2-[(1S,4E,6R,9R)-6-(アセチルオキシ)-9-[(アセチルオキシ)メチル]-4-メチル-8-メチリデンシクロノナ-4-エン-1-イル]-6-ヒドロキシ-6-メチルヘプタ-2,4-ジエン-1-イル アセタート
  • (2Z,4E)-2-[(1S,4E,6R,9R)-6-(acetyloxy)-9-[(acetyloxy)methyl]-4-methyl-8-methylidenecyclonon-4-en-1-yl]-6-hydroxy-6-methylhepta-2,4-dien-1-yl acetate
Other name (3)：
  • (3E,5Z)-2-Methyl-6-[(1β,4E)-4-methyl-6α-acetoxy-8-methylene-9α-(acetoxymethyl)-4-cyclononenyl]-7-acetoxy-3,5-heptadiene-2-ol
  • Isoxeniatriasetate
  • イソキセニアトリアセタート
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