Chem
J-GLOBAL ID：200907092644361260   Nikkaji number：J2.182.111J

2α,5α,10β-Triacetoxy-14β-[[(2R,3S)-2-methyl-3-hydroxybutyryl]oxy]taxa-4(20),11-diene

2α,5α,10β-トリアセトキシ-14β-[[(2R,3S)-2-メチル-3-ヒドロキシブチリル]オキシ]タキサ-4(20),11-ジエン
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： C31H46O9
Molecular formula furigana： C31-H46-O9
Molecular weight： 562.700
InChI： InChI=1S/C31H46O9/c1-15-13-23(40-29(36)16(2)18(4)32)27-28(39-21(7)35)26-17(3)22(37-19(5)33)11-12-31(26,10)14-24(38-20(6)34)25(15)30(27,8)9/h16,18,22-24,26-28,32H,3,11-14H2,1-2,4-10H3/t16-,18+,22+,23+,24+,26+,27+,28+,31+/m1/s1
InChI key： FMPIEMVVEJGMCY-YYURHUSPSA-N
SMILES： C[C@H](O)[C@@H](C)C(=O)O[C@H]1CC(=C2[C@H](C[C@]3(C)CC[C@H](OC(=O)C)C(=C)[C@H]3[C@H](OC(=O)C)[C@H]1C2(C)C)OC(=O)C)C
Systematic name  (3)：
  • 2α,5α,10β-トリアセトキシ-14β-[[(2R,3S)-2-メチル-3-ヒドロキシブチリル]オキシ]タキサ-4(20),11-ジエン
  • (1S,2S,3S,5S,8S,10S,14S)-2,5,10-トリス(アセチルオキシ)-8,12,15,15-テトラメチル-4-メチリデントリシクロ[9.3.1.03,8]ペンタデカ-11-エン-14-イル (2R,3S)-3-ヒドロキシ-2-メチルブタノアート
  • (1S,2S,3S,5S,8S,10S,14S)-2,5,10-tris(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl (2R,3S)-3-hydroxy-2-methylbutanoate
Other name (1)：
  • 2α,5α,10β-Triacetoxy-14β-[[(2R,3S)-2-methyl-3-hydroxybutyryl]oxy]taxa-4(20),11-diene
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