Chem
J-GLOBAL ID：200907026669133170   Nikkaji number：J796.676H

2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene

2α,5α,9α,10β,14β-ペンタアセトキシタキサ-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： C30H42O10
Molecular formula furigana： C30-H42-O10
Molecular weight： 562.656
InChI： InChI=1S/C30H42O10/c1-14-13-22(37-17(4)32)25-26(38-18(5)33)24-15(2)21(36-16(3)31)11-12-30(24,10)28(40-20(7)35)27(39-19(6)34)23(14)29(25,8)9/h21-22,24-28H,2,11-13H2,1,3-10H3/t21-,22-,24-,25-,26-,27+,28-,30+/m0/s1
InChI key： MDPMMMYRDXOPQH-ZARNYMJHSA-N
SMILES： CC(=O)O[C@H]1CC(=C2[C@@H](OC(=O)C)[C@H](OC(=O)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)C
Systematic name  (4)：
  • タキサ-4(20),11-ジエン-2α,5α,9α,10β,14β-ペンタオールペンタアセタート
  • 2α,5α,9α,10β,14β-ペンタアセトキシタキサ-4(20),11-ジエン
  • (1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-テトラキス(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 アセタート
  • (1S,2S,3R,5S,8R,9R,10R,14S)-2,5,9,10-tetrakis(acetyloxy)-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-14-yl acetate
Other name (2)：
  • Taxa-4(20),11-diene-2α,5α,9α,10β,14β-pentol pentaacetate
  • 2α,5α,9α,10β,14β-Pentaacetoxytaxa-4(20),11-diene
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