Chem
J-GLOBAL ID：200907053073339304   Nikkaji number：J16.188H

Heliangine

ヘリアンギン
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： C20H26O6
Molecular formula furigana： C20-H26-O6
Molecular weight： 362.422
InChI： InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-/t13?,14-,15?,16-,17+,20-/m1/s1
InChI key： DZTWAOVNNLDWNH-RIAHNVDISA-N
SMILES： C/C=C(\C)/C(=O)OC1C[C@@]2(C)O[C@@H]2CC(O)/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)/C
Systematic name  (3)：
  • (E)-2-メチル-2-ブテン酸[(1aR,3S,4Z,5aR,8aR,9R,10aR)-1a,2,3,5a,7,8,8a,9,10,10a-デカヒドロ-3-ヒドロキシ-4,10a-ジメチル-8-メチレン-7-オキソオキシレノ[5,6]シクロデカ[1,2-b]フラン-9-イル]
  • (1R,2R,4R,6R,8S,9Z,11R)-8-ヒドロキシ-4,9-ジメチル-14-メチリデン-13-オキソ-5,12-ジオキサトリシクロ[9.3.0.04,6]テトラデカ-9-エン-2-イル (2E)-2-メチルブタ-2-エノアート
  • (1R,2R,4R,6R,8S,9Z,11R)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • ヘリアンギン
  • Heliangine
  • (E)-2-Methyl-2-butenoic acid [(1aR,3S,4Z,5aR,8aR,9R,10aR)-1a,2,3,5a,7,8,8a,9,10,10a-decahydro-3-hydroxy-4,10a-dimethyl-8-methylene-7-oxooxireno[5,6]cyclodeca[1,2-b]furan-9-yl] ester
CAS registry number： 13323-48-3
KEGG COMPOUND： C09474
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