Chem
J-GLOBAL ID：200907093090460267   Nikkaji number：J19.015B

Liatrin

リアトリン
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： C22H26O8
Molecular formula furigana： C22-H26-O8
Molecular weight： 418.442
InChI： InChI=1S/C22H26O8/c1-6-15(11-27-14(4)23)20(25)29-17-10-21(5)7-8-22(26,30-21)12(2)9-16-18(17)13(3)19(24)28-16/h6-9,16-18,26H,3,10-11H2,1-2,4-5H3/b12-9-,15-6-/t16-,17-,18+,21-,22-/m1/s1
InChI key： PVBVYSOUXOHMEA-QLPNIUCISA-N
SMILES： C/C=C(/COC(=O)C)\C(=O)O[C@@H]1C[C@]2(C)O[C@](O)(C=C2)/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)/C
Systematic name  (3)：
  • (Z)-2-アセトキシメチル-2-ブテン酸[(3aR,4R,6S,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-オクタヒドロ-9-ヒドロキシ-6,10-ジメチル-3-メチレン-2-オキソ-6,9-エポキシシクロデカ[b]フラン-4-イル]
  • (1R,2Z,4R,8R,9R,11S)-1-ヒドロキシ-2,11-ジメチル-7-メチリデン-6-オキソ-5,14-ジオキサトリシクロ[9.2.1.04,8]テトラデカ-2,12-ジエン-9-イル (2Z)-2-[(アセチルオキシ)メチル]ブタ-2-エノアート
  • (1R,2Z,4R,8R,9R,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradeca-2,12-dien-9-yl (2Z)-2-[(acetyloxy)methyl]but-2-enoate
Other name (3)：
  • リアトリン
  • Liatrin
  • (Z)-2-Acetoxymethyl-2-butenoic acid [(3aR,4R,6S,9R,10Z,11aR)-2,3,3a,4,5,6,9,11a-octahydro-9-hydroxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl] ester
CAS registry number： 34175-79-6
KEGG COMPOUND： C09493
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