Chem
J-GLOBAL ID：200907065409094796   Nikkaji number：J1.741.229I

2α-Hydroxytirotundin

2α-ヒドロキシチロツンジン
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： C19H28O7
Molecular formula furigana： C19-H28-O7
Molecular weight： 368.426
InChI： InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)8-14(20)19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14+,15-,18-,19+/m0/s1
InChI key： UFLGQPOBCWRADC-UJALFQOCSA-N
SMILES： CC(C)C(=O)O[C@@H]1C[C@@]2(C)C[C@@H](O)[C@](O)(O2)[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]12
Systematic name  (3)：
  • (3aβ,4R,11aα)-2-オキソ-3-メチレン-6β,10β-ジメチル-6,9-エポキシドデカヒドロシクロデカ[b]フラン-4α,8β,9β-トリオール4-イソブチラート
  • (1R,2S,4R,8S,9R,11R,13R)-1,13-ジヒドロキシ-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]テトラデカン-9-イル 2-メチルプロパノアート
  • (1R,2S,4R,8S,9R,11R,13R)-1,13-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl 2-methylpropanoate
Other name (3)：
  • (3aβ,4R,11aα)-2-Oxo-3-methylene-6β,10β-dimethyl-6,9-epoxydodecahydrocyclodeca[b]furan-4α,8β,9β-triol 4-isobutyrate
  • 2α-ヒドロキシチロツンジン
  • 2α-Hydroxytirotundin
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