27127-79-3

Thevetin B Chemical Structure
27127-79-3

Chemical Structure

Thevetin B

  • CAS No.: 27127-79-3
  • Formula:C42H66O18
  • Molecular Weight:858.96

IUPAC Name: 4-((3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-3-(((2R,3S,4S,5S,6S)-3-hydroxy-4-methoxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one

InChIKey: GZVMBXDQUQRICT-RCGIHWJFSA-N

SMILES: O[C@@]([C@@]1(CC2)C)(CC[C@@H]1C(CO3)=CC3=O)[C@@](CC[C@]4([H])C[C@H]5O[C@H](O[C@H]6C)[C@H]([C@@H]([C@H]6O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]([C@H]7O)CO[C@@H]([C@@H]([C@H]8O)O)O[C@@H]([C@H]8O)CO)OC)O)([H])[C@@]2([H])[C@]4(CC5)C

Biological Activity: Thevetin B (compound 1) is a betalain isolated from Thevetia peruviana[1].

Cat. No. Product Name Purity Description Pricing
HY-N1156
Thevetin B 98.71% Thevetin B (compound 1) is a betalain isolated from Thevetia peruviana.
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This product is a controlled substance and not for sale in your territory.

This product is not for sale in your territory.

This compound is listed in the SVHC (Substances of Very High Concern) candidate list of ECHA (European Chemicals Agency).

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References