Chem
J-GLOBAL ID：200907074402501247   Nikkaji number：J2.182.116K

5α,10β-Diacetoxy-14β-(2-methylbutyryloxy)taxa-4(20),11-diene-7β-ol

5α,10β-ジアセトキシ-14β-(2-メチルブチリルオキシ)タキサ-4(20),11-ジエン-7β-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： C29H44O7
Molecular formula furigana： C29-H44-O7
Molecular weight： 504.664
InChI： InChI=1S/C29H44O7/c1-10-15(2)27(33)36-23-11-16(3)26-24(35-19(6)31)14-29(9)20(12-21(23)28(26,7)8)17(4)22(13-25(29)32)34-18(5)30/h15,20-25,32H,4,10-14H2,1-3,5-9H3/t15?,20-,21-,22+,23+,24+,25+,29+/m1/s1
InChI key： RHQXXRBMHKQFLB-ATXZLQIMSA-N
SMILES： CCC(C)C(=O)O[C@H]1CC(=C2[C@H](C[C@]3(C)[C@@H](O)C[C@H](OC(=O)C)C(=C)[C@H]3C[C@H]1C2(C)C)OC(=O)C)C
Systematic name  (3)：
  • 5α,10β-ジアセトキシ-14β-(2-メチルブチリルオキシ)タキサ-4(20),11-ジエン-7β-オール
  • (1S,3R,5S,7S,8S,10S,14S)-5,10-ビス(アセチルオキシ)-7-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-メチルブタノアート
  • (1S,3R,5S,7S,8S,10S,14S)-5,10-bis(acetyloxy)-7-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl 2-methylbutanoate
Other name (1)：
  • 5α,10β-Diacetoxy-14β-(2-methylbutyryloxy)taxa-4(20),11-diene-7β-ol
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