Chemical Compound

10-Deacetylbaccatin III

CAS Registry Number 32981-86-5
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10-Deacetylbaccatin III chemical structure
Primary Record

10-Deacetylbaccatin III

In stock
3,159 g
Purity
98.9 %
CAS
32981-86-5

Compound Identifiers & Properties

CAS
32981-86-5
PubChem CID
11886832
SMILES
CC1=C2[C@H](C(=O)[C@]3([C@@H](C[C@@H]4[C@@]([C@@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O
Canonical SMILES
CC(=O)O[C@]12CO[C@@H]1C[C@@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]21)C3(C)C

Names & Synonyms

  • 10-Deacetylbaccatin III
  • 10-DAB III
  • UNII-4K6EWW2Z45
  • C29H36O10
  • ZINC84459780
  • C29-H36-O10
  • CID11886832
  • 32981-86-5
  • (1S,2S,3S,4R,7R,9R,10R,12R,15S)-4-(acetyloxy)-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0?,??.0?,?]heptadec-13-en-2-yl benzoate
  • 7,11-Methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-