Chem
J-GLOBAL ID：200907002032218264   Nikkaji number：J438.939E

β-Peroxyachifolide

β-ペルオキシアキホリド
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： C20H24O7
Molecular formula furigana： C20-H24-O7
Molecular weight： 376.405
InChI： InChI=1S/C20H24O7/c1-6-10(2)16(21)24-13-9-12-11(3)17(22)25-14(12)15-18(4)7-8-20(15,27-26-18)19(13,5)23/h6-8,12-15,23H,3,9H2,1-2,4-5H3/b10-6+/t12-,13+,14-,15-,18-,19+,20+/m0/s1
InChI key： RETIODDHEFBATD-AXSLEILASA-N
SMILES： C/C=C(\C)/C(=O)O[C@@H]1C[C@@H]2[C@H](OC(=O)C2=C)[C@H]2[C@@]3(C)OO[C@@]2(C=C3)[C@]1(C)O
Systematic name  (3)：
  • (3aS)-3a,4,5,6,6a,9,9aβ,9bα-オクタヒドロ-6aα,9α-エピジオキシ-6β-ヒドロキシ-6,9-ジメチル-3-メチレン-5β-[(E)-2-メチル-2-ブテノイルオキシ]アズレノ[4,5-b]フラン-2(3H)-オン
  • (1R,2R,3R,5S,9S,10S,11S)-2-ヒドロキシ-2,11-ジメチル-6-メチリデン-7-オキソ-8,12,13-トリオキサテトラシクロ[9.2.2.01,10.05,9]ペンタデカ-14-エン-3-イル (2E)-2-メチルブタ-2-エノアート
  • (1R,2R,3R,5S,9S,10S,11S)-2-hydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,12,13-trioxatetracyclo[9.2.2.01,10.05,9]pentadec-14-en-3-yl (2E)-2-methylbut-2-enoate
Other name (3)：
  • β-ペルオキシアキホリド
  • β-Peroxyachifolide
  • (3aS)-3a,4,5,6,6a,9,9aβ,9bα-Octahydro-6aα,9α-epidioxy-6β-hydroxy-6,9-dimethyl-3-methylene-5β-[(E)-2-methyl-2-butenoyloxy]azuleno[4,5-b]furan-2(3H)-one
Thsaurus map：
Thesaurus Map

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