Specneuzhenide

cas: 449733-84-0 — see every product listed under this CAS number, including other names

Specneuzhenide (CAS 449733-84-0) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 5mg, 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberFS145276-10mg
cas449733-84-0
size10mg
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properties

categoryNatural Products
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

Methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate (CAS 449733-84-0) is a chemical compound with the molecular formula C31H42O17 and a molecular weight of 686.7 g/mol. IUPAC name: methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate. InChIKey: STKUCSFEBXPTAY-GSUVRYNNSA-N.

Identity
Molecular formulaC31H42O17
Molecular weight686.7 g/mol
IUPAC namemethyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
InChIKeySTKUCSFEBXPTAY-GSUVRYNNSA-N
SMILESC/C=C\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)OC)CC(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OCCC4=CC=C(C=C4)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Specnuezhenide, Specneuzhenide, (8Z)-Nuzhenide, Nuzhenide, (8E)-Nuezhenide, MEGxp0_001435, orb1220728, orb1301548
Related forms of this compound
methyl (5E,6S)-5-ethylidene-4-[2-oxo-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methoxy]ethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate C31H42O17
Isomers (same molecular formula)
methyl (4S,5E,6S)-5-ethylidene-4-[2-oxo-2-[4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]phenoxy]ethyl]-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate C31H42O17

Also listed as

Specneuzhenide/ 95.8% (existing batch purity) TargetMol CAS 449733-84-0
Specneuzhenide, 99.87% MedChemExpress CAS 449733-84-0
Methyl (2S,4S,Z)-3-Ethylidene-4-(2-Oxo-2-(((2R,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-(4-Hydroxyphenethoxy)Tetrahydro-2H-Pyran-2-Yl)Methoxy)Ethyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl)Oxy)-3,4-Dihydro-2H-Pyran-5-Carboxylate, 98% Chemat CAS 449733-84-0