Secologanoside

cas: 59472-23-0 — see every product listed under this CAS number, including other names

Secologanoside (CAS 59472-23-0) is a chemical reagent available from Chemat. Available pack sizes: 10MG. Offered by: Sigma-Aldrich.

brandSigma-Aldrich
catalog numberPHL85770-10MG
cas59472-23-0
size10MG
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Available pack sizes

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Sigma-Aldrich 10MG 2128.00 Pln
Structural formula: {0} (CAS {1})

(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid (CAS 59472-23-0) is a chemical compound with the molecular formula C16H22O11 and a molecular weight of 390.34 g/mol. IUPAC name: (2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid. InChIKey: RGTONEMDTVVDMY-GRTPNEQMSA-N.

Identity
Molecular formulaC16H22O11
Molecular weight390.34 g/mol
IUPAC name(2S,3R,4S)-4-(carboxymethyl)-3-ethenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylic acid
InChIKeyRGTONEMDTVVDMY-GRTPNEQMSA-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)O

Computed by PubChem (NCBI)

Synonyms: Secologanoside, Secologanoside 7-methyl ester, Secoxyloganic acid, secol oganoside, Secologanoside (Standard), orb1297606
Isomers (same molecular formula)
[(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
[(2R,3S,4S,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
[(2R,3R,4S,5R)-2,3,4,5-tetraacetyloxy-6-oxohexyl] acetate C16H22O11
(2,3,4,5-tetraacetyloxyoxan-2-yl)methyl acetate C16H22O11
[(2R)-2-acetyloxy-2-[(2S,3S,4R)-3,4,5-triacetyloxyoxolan-2-yl]ethyl] acetate C16H22O11
[(2R,3R,4S,5S,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
[(2R,3R,4R,5R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
[(2S,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
(1S,4aS,5S,7aS)-5-hydroxy-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 C16H22O11
[(2S,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
[(2R,3S,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11
[(2R,3R,4S,5S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate C16H22O11

Also listed as

Secologanoside/ 99.36% (existing batch purity) TargetMol CAS 59472-23-0
Secologanoside (Standard) MedChemExpress CAS 59472-23-0
Secologanoside, 99.0% MedChemExpress CAS 59472-23-0