Chem
J-GLOBAL ID:200907027315089854   Nikkaji number:J1.273.619C

Anthoptilide B

アントプチリドB
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: C26H34O7
Molecular formula furigana: C26-H34-O7
Molecular weight: 458.551
InChI: InChI=1S/C26H34O7/c1-13(2)24(29)33-22-9-8-14(3)10-21-18(16(5)25(30)32-21)12-19-15(4)11-20(28)23(26(19,22)7)31-17(6)27/h10-11,13,19,21-23H,8-9,12H2,1-7H3/t19-,21-,22-,23-,26-/m0/s1
InChI key: PWYOXBDEJSNBHD-OPTWNZHXSA-N
SMILES: CC(C)C(=O)O[C@H]1CCC(=C[C@@H]2OC(=O)C(=C2C[C@H]2C(=CC(=O)[C@H](OC(=O)C)[C@]12C)C)C)C
Systematic name  (3):
  • 2-[(1R)-1,2,4aβ,5,6,7,10,11,12,12a-デカヒドロ-7β-ヒドロキシ-1β-アセトキシ-2-オキソ-4,9,12aα-トリメチル-12α-[(2-メチルプロピオニル)オキシ]ベンゾシクロデセン-6-イリデン]プロパン酸ラクトン
  • (1S,7S,12S,13S,14R)-14-(アセチルオキシ)-4,9,13,17-テトラメチル-5,15-ジオキソ-6-オキサトリシクロ[11.4.0.03,7]ヘプタデカ-3,8,16-トリエン-12-イル 2-メチルプロパノアート
  • (1S,7S,12S,13S,14R)-14-(acetyloxy)-4,9,13,17-tetramethyl-5,15-dioxo-6-oxatricyclo[11.4.0.03,7]heptadeca-3,8,16-trien-12-yl 2-methylpropanoate
Other name (3):
  • 2-[(1R)-1,2,4aβ,5,6,7,10,11,12,12a-Decahydro-7β-hydroxy-1β-acetoxy-2-oxo-4,9,12aα-trimethyl-12α-[(2-methylpropionyl)oxy]benzocyclodecene-6-ylidene]propanoic acid lactone
  • アントプチリドB
  • Anthoptilide B
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