Chem
J-GLOBAL ID：200907081349835452   Nikkaji number：J636.858A

(1R,3aS,4Z,8S,8aS,12S,12aS,13R,13aS)-8,13-Diacetoxy-6,7,8,8a,12,12a,13,13a-octahydro-12,13-dihydroxy-1,5,8a,12-tetramethylbenzo[4,5]cyclodeca[1,2-b]furan-2,11(1H,3aH)-dione

(1S,2R,3S,4R,7S,8Z,12S,13S,17S)-2-(アセチルオキシ)-2,17-ジヒドロキシ-4,9,13,17-テトラメチル-5,16-ジオキソ-6-オキサトリシクロ[11.4.0.03,7]ヘプタデカ-8,14-ジエン-12-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： C24H32O9
Molecular formula furigana： C24-H32-O9
Molecular weight： 464.511
InChI： InChI=1S/C24H32O9/c1-12-7-8-18(31-14(3)25)22(5)10-9-17(27)23(6,29)21(22)24(30,33-15(4)26)19-13(2)20(28)32-16(19)11-12/h9-11,13,16,18-19,21,29-30H,7-8H2,1-6H3/b12-11-/t13-,16+,18+,19+,21+,22-,23-,24-/m1/s1
InChI key： PXEPZYOFWBXCLE-FXPPQPLSSA-N
SMILES： C[C@@H]1[C@H]2[C@@H](OC1=O)/C=C(/C)\CC[C@H](OC(=O)C)[C@@]1(C)C=CC(=O)[C@@](C)(O)[C@H]1[C@]2(O)OC(=O)C
Systematic name  (3)：
  • (1R,3aS,4Z,8S,8aS,12S,12aS,13R,13aS)-8,13-ジアセトキシ-6,7,8,8a,12,12a,13,13a-オクタヒドロ-12,13-ジヒドロキシ-1,5,8a,12-テトラメチルベンゾ[4,5]シクロデカ[1,2-b]フラン-2,11(1H,3aH)-ジオン
  • (1S,2R,3S,4R,7S,8Z,12S,13S,17S)-2-(アセチルオキシ)-2,17-ジヒドロキシ-4,9,13,17-テトラメチル-5,16-ジオキソ-6-オキサトリシクロ[11.4.0.03,7]ヘプタデカ-8,14-ジエン-12-イル アセタート
  • (1S,2R,3S,4R,7S,8Z,12S,13S,17S)-2-(acetyloxy)-2,17-dihydroxy-4,9,13,17-tetramethyl-5,16-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl acetate
Other name (1)：
  • (1R,3aS,4Z,8S,8aS,12S,12aS,13R,13aS)-8,13-Diacetoxy-6,7,8,8a,12,12a,13,13a-octahydro-12,13-dihydroxy-1,5,8a,12-tetramethylbenzo[4,5]cyclodeca[1,2-b]furan-2,11(1H,3aH)-dione
KEGG COMPOUND： C16859
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