Chem
J-GLOBAL ID：200907094750905506   Nikkaji number：J778.935A

5-Decinnamoyltaxinin J

5-デシンナモイルタキシニンJ
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： C30H42O11
Molecular formula furigana： C30-H42-O11
Molecular weight： 578.655
InChI： InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1
InChI key： NTRHFSRAAXRZLC-FJANQRQLSA-N
SMILES： CC(=O)O[C@H]1C[C@H]2[C@@H](OC(=O)C)[C@@H]3C(=C)[C@@H](O)C[C@H](OC(=O)C)[C@@]3(C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C(=C1C)C2(C)C
Systematic name  (4)：
  • (1S)-1,2,3,4,4aα,5,6,7,8,11,12,12a-ドデカヒドロ-9,12aβ,13,13-テトラメチル-4-メチレン-6β,10-メタノベンゾシクロデセン-1β,3α,5α,8α,11β,12α-ヘキサオール1,5,8,11,12-ペンタアセタート
  • 5α-ヒドロキシ-2α,7β,9α,10β,13α-ペンタアセトキシ-4(20),11-タキサジエン
  • (1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10-テトラキス(アセチルオキシ)-5-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-13-イル アセタート
  • (1R,2R,3R,5S,7S,8S,9R,10R,13S)-2,7,9,10-tetrakis(acetyloxy)-5-hydroxy-8,12,15,15-tetramethyl-4-methylidenetricyclo[9.3.1.03,8]pentadec-11-en-13-yl acetate
Other name (4)：
  • 5-デシンナモイルタキシニンJ
  • 5-Decinnamoyltaxinin J
  • (1S)-1,2,3,4,4aα,5,6,7,8,11,12,12a-Dodecahydro-9,12aβ,13,13-tetramethyl-4-methylene-6β,10-methanobenzocyclodecene-1β,3α,5α,8α,11β,12α-hexol 1,5,8,11,12-pentaacetate
  • 5α-Hydroxy-2α,7β,9α,10β,13α-pentaacetoxy-4(20),11-taxadiene
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