Chemical Compound

Tomatine

CAS Registry Number 17406-45-0
Tomatine chemical structure
Primary Record

Tomatine

In stock
8,195 g
Purity
98.5 %
CAS
17406-45-0

Compound Identifiers & Properties

CAS
17406-45-0
PubChem CID
133612499
SMILES
C[C@H]1C2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O[C@H]6C(C([C@H](C(O6)CO)O[C@H]7C(C([C@@H](C(O7)CO)O)O[C@H]8C(C([C@@H](CO8)O)O)O)O[C@H]9C(C([C@@H](C(O9)CO)O)O)O)O)O)C)C)O[C@@]11CCC(CN1)C
Canonical SMILES
CC1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[C@@H]6OC(CO)[C@H](O[C@@H]7OC(CO)[C@@H](O)C(O[C@@H]8OC[C@@H](O)C(O)C8O)C7O[C@@H]7OC(CO)[C@@H](O)C(O)C7O)C(O)C6O)CC[C@]5(C)[C@H]4CC[C@]3(C)C1[C@@H]2C

Names & Synonyms

  • Tomatine
  • 17406-45-0