Chem
J-GLOBAL ID：200907024279737470   Nikkaji number：J742.112E

Acetic acid [(2Z,5R,7R,8aS,13bS)-3,5,6,7,8,8a,10aβ,11,12,13,13aβ,13b-dodecahydro-7-hydroxy-12β-methyl-3,15-dioxo-2,5-ethanoindeno[4,5-e]oxecin]-11β-yl ester

(3S,4R,6S,7S,8S,11S,13R,15R)-13-ヒドロキシ-6-メチル-17,18-ジオキソ-16-オキサテトラシクロ[13.2.2.03,11.04,8]ノナデカ-1,9-ジエン-7-イル 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： C21H26O6
Molecular formula furigana： C21-H26-O6
Molecular weight： 374.433
InChI： InChI=1S/C21H26O6/c1-10-5-17-15(20(10)26-11(2)22)4-3-12-6-13(23)7-14-8-19(24)18(9-16(12)17)21(25)27-14/h3-4,9-10,12-17,20,23H,5-8H2,1-2H3/b18-9-/t10-,12+,13+,14+,15-,16-,17-,20-/m0/s1
InChI key： NQXQKOWVFXXLJS-JGVFMUIISA-N
SMILES： C[C@H]1C[C@H]2[C@H](C=C[C@@H]3C[C@@H](O)C[C@@H]4CC(=O)/C(=C/[C@H]23)/C(=O)O4)[C@H]1OC(=O)C
Systematic name  (3)：
  • 酢酸[(2Z,5R,7R,8aS,13bS)-3,5,6,7,8,8a,10aβ,11,12,13,13aβ,13b-ドデカヒドロ-7-ヒドロキシ-12β-メチル-3,15-ジオキソ-2,5-エタノインデノ[4,5-e]オキセシン]-11β-イル
  • (3S,4R,6S,7S,8S,11S,13R,15R)-13-ヒドロキシ-6-メチル-17,18-ジオキソ-16-オキサテトラシクロ[13.2.2.03,11.04,8]ノナデカ-1,9-ジエン-7-イル アセタート
  • (3S,4R,6S,7S,8S,11S,13R,15R)-13-hydroxy-6-methyl-17,18-dioxo-16-oxatetracyclo[13.2.2.03,11.04,8]nonadeca-1,9-dien-7-yl acetate
Other name (1)：
  • Acetic acid [(2Z,5R,7R,8aS,13bS)-3,5,6,7,8,8a,10aβ,11,12,13,13aβ,13b-dodecahydro-7-hydroxy-12β-methyl-3,15-dioxo-2,5-ethanoindeno[4,5-e]oxecin]-11β-yl ester
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