Chem
J-GLOBAL ID：201207050607449930   Nikkaji number：J3.054.021B

Toonaciliatone B

トオナシリアトン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： C28H34O6
Molecular formula furigana： C28-H34-O6
Molecular weight： 466.574
InChI： InChI=1S/C28H34O6/c1-15(29)33-21-22-24(2,3)19(30)8-10-25(22,4)18-7-11-26(5)17(16-9-12-32-14-16)13-20-28(26,34-20)27(18,6)23(21)31/h8-10,12,14,17-18,20-22H,7,11,13H2,1-6H3/t17-,18+,20+,21+,22-,25+,26-,27-,28+/m0/s1
InChI key： LQPGLUVGDFGNHD-QUXNTCGWSA-N
SMILES： CC(=O)O[C@@H]1[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@H]4O[C@@]34[C@]2(C)C1=O)c1ccoc1
Systematic name  (3)：
  • 6α-アセトキシ-8-メチル-14β,15β:21,23-ジエポキシ-24,25,26,27,30-ペンタノルチルカラ-1,20,22-トリエン-3,7-ジオン
  • (1R,2R,4R,6S,7S,10R,11R,16R,17R)-6-(フラン-3-イル)-1,7,11,15,15-ペンタメチル-14,18-ジオキソ-3-オキサペンタシクロ[8.8.0.02,4.02,7.011,16]オクタデカ-12-エン-17-イル アセタート
  • (1R,2R,4R,6S,7S,10R,11R,16R,17R)-6-(furan-3-yl)-1,7,11,15,15-pentamethyl-14,18-dioxo-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadec-12-en-17-yl acetate
Other name (3)：
  • 6α-Acetoxy-8-methyl-14β,15β:21,23-diepoxy-24,25,26,27,30-pentanortirucalla-1,20,22-triene-3,7-dione
  • トオナシリアトンB
  • Toonaciliatone B
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