Products 22864-93-3

CAS 22864-93-3 is the registry number for Secologanate. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, Get quote.

Secologanate
Biosynth, MedChemExpress
  • size: 25mg, 10mg, 50mg, Get quote
  • Variants: 4
View product
Structural formula: {0} (CAS {1})

Secologanate is a terpene glycoside.

Source: ChEBI

Identity
Molecular formulaC16H22O10
Molecular weight374.34 g/mol
IUPAC name(2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
InChIKeyPUEUIRDVQIKCCG-ZASXJUAOSA-N
SMILESC=C[C@@H]1[C@@H](C(=CO[C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)O)CC=O

Computed by PubChem (NCBI)

Synonyms: Secologanate, Secologansaeure, orb1702817
Isomers (same molecular formula)
methyl (2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-prop-2-enoxyoxane-2-carboxylate C16H22O10
(4aS,5R,6S)-5-ethenyl-3-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one C16H22O10
(1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid C16H22O10
(3S,4R,4aR)-4-ethenyl-4a-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one C16H22O10
(1S,4aS,6S,7aS)-6-hydroxy-7-methylidene-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid C16H22O10
(1S,4aS)-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6-tetrahydrocyclopenta[c]pyran-4-carboxylic acid C16H22O10
(1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid C16H22O10