Chemical Compound

12-doxylstearic acid

CAS Registry Number 29545-47-9
12-doxylstearic acid chemical structure
Primary Record

12-doxylstearic acid

In stock
1,763 g
Purity
98.8 %
CAS
29545-47-9

Compound Identifiers & Properties

CAS
29545-47-9
PubChem CID
46780847
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O[C@H]2[C@H]3[C@@]([C@H](C[C@@H]4[C@]3(CO4)OC(=O)C)O[Si](CC)(CC)CC)(C(=O)[C@@H](C5=C([C@H](C[C@@]2(C5(C)C)O)O)C)O[Si](CC)(CC)CC)C)[2H])[2H]
Canonical SMILES
[2H]c1c([2H])c([2H])c(C(=O)O[C@H]2[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O[Si](CC)(CC)CC)[C@@]3(C)C(=O)[C@H](O[Si](CC)(CC)CC)C3=C(C)[C@@H](O)C[C@]2(O)C3(C)C)c([2H])c1[2H]

Names & Synonyms

  • 12-doxylstearic acid
  • CTK8F3131
  • 7,10-Bis[O-(triethylsilyl)]-10-deacetyl Baccatin III-d5
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4a,8,13,13-tetramethyl-4,6-bis[(triethylsilyl)oxy]-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one-d5
  • 29545-47-9