Chemical Compound

Simotaxel

CAS Registry Number 791635-59-1
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Simotaxel chemical structure
Primary Record

Simotaxel

In stock
642 g
Purity
99.2 %
CAS
791635-59-1

Compound Identifiers & Properties

CAS
791635-59-1
PubChem CID
146159763
SMILES
CC1=C2C(C(=O)[C@@]3(C(CC4[C@](C3C([C@@](C2(C)C)(CC1OC(=O)C(C(C5=CC=CS5)NC(=O)OC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C7CCCC7
Canonical SMILES
CC(=O)O[C@@]12COC1CC(O)[C@@]1(C)C(=O)C(OC(=O)C3CCCC3)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)C)c4cccs4)C[C@@](O)(C(OC(=O)c4ccccc4)C21)C3(C)C

Names & Synonyms

  • Simotaxel
  • MST 997; TL 909
  • 791635-59-1