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Nuezhenide

CAT: 1410-M18514-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M18514-05Size:25 mg
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Description
Nuezhenide significantly protects human neuroblastoma SH-SY5Y cells from 6-hydroxydopamine-induced neurotoxicity.
CAS Number
39011-92-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
686.7
Molecular Formula
C31H42O17
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Nuezhenide

Nuezhenide is natural product found in Fraxinus angustifolia, Syringa vulgaris, and other organisms.

CAS Number39011-92-2
PubChem CID6440999
IUPAC Namemethyl (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
Molecular FormulaC31H42O17
Molecular Weight686.7
XLogP-2.2
Topological Polar Surface Area261
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Heavy Atom Count48
Formal Charge0
Complexity1120
SMILES
C/C=C\1/[C@@H](OC=C(C1CC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)O)O)O)C(=O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI
InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)12-45-29(16)48-31-27(40)24(37)22(35)19(11-32)46-31)10-21(34)44-13-20-23(36)25(38)26(39)30(47-20)43-9-8-14-4-6-15(33)7-5-14/h3-7,12,17,19-20,22-27,29-33,35-40H,8-11,13H2,1-2H3/b16-3+/t17?,19-,20-,22-,23-,24+,25+,26-,27-,29+,30-,31+/m1/s1
InChIKey
STKUCSFEBXPTAY-YTECAPLWSA-N
Chemical Structure
2D Structure
2D structure of Nuezhenide
CAS: 39011-92-2
CID: 6440999
Formula: C31H42O17
MW: 686.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight686.7
XLogP3-2.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count17
Rotatable Bond Count14
Exact Mass686.24219987
Monoisotopic Mass686.24219987
Topological Polar Surface Area261 Ų
Heavy Atom Count48
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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