Chem
J-GLOBAL ID：200907013000197526   Nikkaji number：J2.182.123C

5α,10β-Diacetoxy-14β-(2-methyl-3-oxobutyryloxy)taxa-4(20),11-diene-9α-ol

5α,10β-ジアセトキシ-14β-(2-メチル-3-オキソブチリルオキシ)タキサ-4(20),11-ジエン-9α-オール
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： C29H42O8
Molecular formula furigana： C29-H42-O8
Molecular weight： 518.647
InChI： InChI=1S/C29H42O8/c1-14-12-23(37-27(34)15(2)17(4)30)21-13-20-16(3)22(35-18(5)31)10-11-29(20,9)26(33)25(36-19(6)32)24(14)28(21,7)8/h15,20-23,25-26,33H,3,10-13H2,1-2,4-9H3/t15?,20-,21-,22+,23+,25-,26+,29-/m1/s1
InChI key： XOWRXFGQXSWPOI-LJIMNXIUSA-N
SMILES： CC(C(=O)C)C(=O)O[C@H]1CC(=C2[C@@H](OC(=O)C)[C@H](O)[C@]3(C)CC[C@H](OC(=O)C)C(=C)[C@H]3C[C@H]1C2(C)C)C
Systematic name  (3)：
  • 5α,10β-ジアセトキシ-14β-(2-メチル-3-オキソブチリルオキシ)タキサ-4(20),11-ジエン-9α-オール
  • (1S,3R,5S,8R,9R,10R,14S)-5,10-ビス(アセチルオキシ)-9-ヒドロキシ-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 2-メチル-3-オキソブタノアート
  • (1S,3R,5S,8R,9R,10R,14S)-5,10-bis(acetyloxy)-9-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl 2-methyl-3-oxobutanoate
Other name (1)：
  • 5α,10β-Diacetoxy-14β-(2-methyl-3-oxobutyryloxy)taxa-4(20),11-diene-9α-ol
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