Products 711025-86-4

CAS 711025-86-4 appears in our catalog under these names: Neochlorogenin 6–O–β–D–quinovopyranoside, Neochlorogenin 6-O-β-D-quinovopyranoside. Offered by: GLPBio, MedChemExpress. Available pack sizes: 5mg, Get quote.

Neochlorogenin 6–O–β–D–quinovopyranoside
GLPBio
  • size: 5mg
  • Variants: 1
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Neochlorogenin 6-O-β-D-quinovopyranoside
MedChemExpress
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Structural formula: {0} (CAS {1})

(2R,3R,4S,5S,6R)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxane-3,4,5-triol (CAS 711025-86-4) is a chemical compound with the molecular formula C33H54O8 and a molecular weight of 578.8 g/mol. IUPAC name: (2R,3R,4S,5S,6R)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxane-3,4,5-triol. InChIKey: UJJOTHZQHRLIPY-JJBBQBTFSA-N.

Identity
Molecular formulaC33H54O8
Molecular weight578.8 g/mol
IUPAC name(2R,3R,4S,5S,6R)-2-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxane-3,4,5-triol
InChIKeyUJJOTHZQHRLIPY-JJBBQBTFSA-N
SMILESC[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C)O)O)O)C)C)OC1

Computed by PubChem (NCBI)

Synonyms: 6-QPS cpd, 6alpha-O-beta-D-quinovopyranosyl-(25S)-5alpha-spirostan-3beta-ol, orb1680424, Neochlorogenin 6-O-??-D-quinovopyranoside, Neochlorogenin 6-O-|A-D-quinovopyranoside
Isomers (same molecular formula)
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxane-3,4,5-triol C33H54O8