Chem
J-GLOBAL ID：200907088095496037   Nikkaji number：J2.244.080B

(1S)-1α,2-[[(2S)-3-Hydroxy-3-methylbutane-1,2-diyl]oxy]-5α-isobutyryl-6,6-dimethyl-7β-(3-hydroxy-3-methylbutyl)bicyclo[3.3.1]nonane-2-ene-4,9-dione

(1S)-1α,2-[[(2S)-3-ヒドロキシ-3-メチルブタン-1,2-ジイル]オキシ]-5α-イソブチリル-6,6-ジメチル-7β-(3-ヒドロキシ-3-メチルブチル)ビシクロ[3.3.1]ノナン-2-エン-4,9-ジオン
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： C25H38O6
Molecular formula furigana： C25-H38-O6
Molecular weight： 434.573
InChI： InChI=1S/C25H38O6/c1-14(2)19(27)25-16(26)11-17-24(20(25)28,13-18(31-17)23(7,8)30)12-15(22(25,5)6)9-10-21(3,4)29/h11,14-15,18,29-30H,9-10,12-13H2,1-8H3/t15-,18-,24-,25+/m0/s1
InChI key： VXKQVLVRJUCFHR-YELKHUEOSA-N
SMILES： CC(C)C(=O)[C@@]12C(=O)C=C3O[C@@H](C[C@]3(C[C@H](CCC(C)(C)O)C1(C)C)C2=O)C(C)(C)O
Systematic name  (3)：
  • (1S)-1α,2-[[(2S)-3-ヒドロキシ-3-メチルブタン-1,2-ジイル]オキシ]-5α-イソブチリル-6,6-ジメチル-7β-(3-ヒドロキシ-3-メチルブチル)ビシクロ[3.3.1]ノナン-2-エン-4,9-ジオン
  • (1S,3S,8R,10S)-10-(3-ヒドロキシ-3-メチルブチル)-3-(2-ヒドロキシプロパン-2-イル)-9,9-ジメチル-8-(2-メチルプロパノイル)-4-オキサトリシクロ[6.3.1.01,5]ドデカ-5-エン-7,12-ジオン
  • (1S,3S,8R,10S)-10-(3-hydroxy-3-methylbutyl)-3-(2-hydroxypropan-2-yl)-9,9-dimethyl-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
Other name (1)：
  • (1S)-1α,2-[[(2S)-3-Hydroxy-3-methylbutane-1,2-diyl]oxy]-5α-isobutyryl-6,6-dimethyl-7β-(3-hydroxy-3-methylbutyl)bicyclo[3.3.1]nonane-2-ene-4,9-dione
Thsaurus map：
Thesaurus Map

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