Chem
J-GLOBAL ID：200907039594426758   Nikkaji number：J704.181K

Taxane

タキサン
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： C20H36
Molecular formula furigana： C20-H36
Molecular weight： 276.508
InChI： InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1
InChI key： DKPFODGZWDEEBT-QFIAKTPHSA-N
SMILES： C[C@@H]1CC[C@H]2C[C@@H]3[C@H](C)CCC[C@@]3(C)CC[C@@H]1C2(C)C
Systematic name  (3)：
  • タキサン
  • (1S,3R,4R,8S,11S,12R)-4,8,12,15,15-ペンタメチルトリシクロ[9.3.1.03,8]ペンタデカン
  • (1S,3R,4R,8S,11S,12R)-4,8,12,15,15-pentamethyltricyclo[9.3.1.03,8]pentadecane
Other name (1)：
  • Taxane
CAS registry number： 1605-68-1
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