Products 449733-84-0

CAS 449733-84-0 appears in our catalog under these names: Specneuzhenide/ 95.8% (existing batch purity), Specneuzhenide, Specneuzhenide, 99.87%. Offered by: TargetMol, Biosynth, Chemat, MedChemExpress. Available pack sizes: 5mg, 10mg, 25mg, 1mg, 50mg, 100mg, 10 mg, 1 mg.

Specneuzhenide/ 95.8% (existing batch purity)
TargetMol
  • size: 5mg, 10mg, 25mg
  • Variants: 3
from 499.07
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Specneuzhenide
Biosynth, Chemat
  • size: 10mg, 5mg, 25mg, 1mg
  • Variants: 8
from 198.80
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Specneuzhenide, 99.87%
MedChemExpress
  • size: 10 mg, 1 mg, 5 mg, 10mM/1mL
  • Variants: 5
from 254.68
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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