Chemical Compound

Paclitaxel octadecanedioate

CAS Registry Number 2089211-45-8
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Paclitaxel octadecanedioate chemical structure
Primary Record

Paclitaxel octadecanedioate

In stock
3,476 g
Purity
99.1 %
CAS
2089211-45-8

Compound Identifiers & Properties

CAS
2089211-45-8
PubChem CID
126709466
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]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCCCCCCCCCCCCCCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C
Canonical SMILES
CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC(=O)O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

Names & Synonyms

  • Paclitaxel octadecanedioate
  • orb1693772
  • SCHEMBL18655406
  • C65H83NO17
  • 2089211-45-8
  • AKOS040755235
  • HY-139248
  • octadecanedioic acid-1-[(1R,2S)-2-(benzoylamino)-1-[[[(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl]oxy]carbonyl]-2-phenylethyl] ester
  • CS-0182635
  • 18-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-18-oxooctadecanoic acid
  • 18-[(1R)-1-[(S)-benzamido(phenyl)methyl]-2-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetoxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-2-oxo-ethoxy]-18-oxo-octadecanoic acid
  • N/A