Chem
J-GLOBAL ID:200907000273499687   Nikkaji number:J1.535.220E

(Z)-2-Methyl-2-butenoic acid (3aR,3aα,11aβ)-2-oxo-3-methylene-5,10β-dihydroxy-6β,10-dimethyl-11β-(2-oxo-3-methylbutoxy)dodecahydro-5α,8α-epoxycyclodeca[b]furan-4α-yl ester

(Z)-2-メチル-2-ブテン酸(3aR,3aα,11aβ)-2-オキソ-3-メチレン-5,10β-ジヒドロキシ-6β,10-ジメチル-11β-(2-オキソ-3-メチルブトキシ)ドデカヒドロ-5α,8α-エポキシシクロデカ[b]フラン-4α-イル
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: C25H36O9
Molecular formula furigana: C25-H36-O9
Molecular weight: 480.554
InChI: InChI=1S/C25H36O9/c1-8-13(4)22(27)33-20-18-15(6)23(28)32-19(18)21(31-11-17(26)12(2)3)24(7,29)10-16-9-14(5)25(20,30)34-16/h8,12,14,16,18-21,29-30H,6,9-11H2,1-5,7H3/b13-8-/t14-,16-,18+,19+,20-,21-,24+,25+/m0/s1
InChI key: TYONKHYZDOXTNJ-TXULIZLISA-N
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@H]2[C@@H](OC(=O)C2=C)[C@H](OCC(=O)C(C)C)[C@](C)(O)C[C@@H]2C[C@H](C)[C@@]1(O)O2
Systematic name  (3):
  • (Z)-2-メチル-2-ブテン酸(3aR,3aα,11aβ)-2-オキソ-3-メチレン-5,10β-ジヒドロキシ-6β,10-ジメチル-11β-(2-オキソ-3-メチルブトキシ)ドデカヒドロ-5α,8α-エポキシシクロデカ[b]フラン-4α-イル
  • (1R,2S,3R,7R,8S,9R,11S,13S)-1,9-ジヒドロキシ-9,13-ジメチル-8-(3-メチル-2-オキソブトキシ)-4-メチリデン-5-オキソ-6,14-ジオキサトリシクロ[9.2.1.03,7]テトラデカン-2-イル (2Z)-2-メチルブタ-2-エノアート
  • (1R,2S,3R,7R,8S,9R,11S,13S)-1,9-dihydroxy-9,13-dimethyl-8-(3-methyl-2-oxobutoxy)-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.03,7]tetradecan-2-yl (2Z)-2-methylbut-2-enoate
Other name (1):
  • (Z)-2-Methyl-2-butenoic acid (3aR,3aα,11aβ)-2-oxo-3-methylene-5,10β-dihydroxy-6β,10-dimethyl-11β-(2-oxo-3-methylbutoxy)dodecahydro-5α,8α-epoxycyclodeca[b]furan-4α-yl ester
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