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3',6-Disinapoylsucrose

CAT: 0013-GTR19170965-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170965-01Size:1 mg
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Description
3',6-Disinapoylsucrose is a natural product studied for its neuroprotective and antidepressant properties. Research in rodent models demonstrates its potential for investigating neurological and psychiatric disorders, including in vivo studies on depression and neuroprotection.
CAS Number
139891-98-8
Product Name Alternative
CREB, Disinapoyl sucrose, Bcl-2, 3',6 Disinapoylsucrose, 3,6'-Disinapoyl sucrose, 3',6Disinapoylsucrose, 3',6-Disinapoylsucrose, inhibit, EpigeneticReaderDomain, Epigenetic Reader Domain, Inhibitor
Field of Research
Cell Biology, Epigenetics & Chromatin
Purity
≥95% (May vary between batches)
Solubility
DMSO:55 mg/mL (72.88 mM)
Smiles
COc1cc (\C=C\C (=O) OC[C@H]2O[C@H] (O[C@]3 (CO) O[C@H] (CO) [C@@H] (O) [C@@H]3OC (=O) \C=C\c3cc (OC) c (O) c (OC) c3) [C@H] (O) [C@@H] (O) [C@@H]2O) cc (OC) c1O
Molecular Formula
C34H42O19
Molecular Weight
754.69
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3',6-Disinapoylsucrose

3',6-Disinapoyl sucrose is a hydroxycinnamic acid.

CAS Number139891-98-8
PubChem CID11968389
IUPAC Name[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Molecular FormulaC34H42O19
Molecular Weight754.7
XLogP-0.5
Topological Polar Surface Area279
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Heavy Atom Count53
Formal Charge0
Complexity1210
SMILES
COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)CO)O)O)O
InChI
InChI=1S/C34H42O19/c1-45-18-9-16(10-19(46-2)26(18)39)5-7-24(37)49-14-23-28(41)30(43)31(44)33(50-23)53-34(15-36)32(29(42)22(13-35)52-34)51-25(38)8-6-17-11-20(47-3)27(40)21(12-17)48-4/h5-12,22-23,28-33,35-36,39-44H,13-15H2,1-4H3/b7-5+,8-6+/t22-,23-,28-,29-,30+,31-,32+,33-,34+/m1/s1
InChIKey
FHIJMQWMMZEFBL-OPSYHMPNSA-N
Chemical Structure
2D Structure
2D structure of 3',6-Disinapoylsucrose
CAS: 139891-98-8
CID: 11968389
Formula: C34H42O19
MW: 754.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight754.7
XLogP3-0.5
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count19
Rotatable Bond Count17
Exact Mass754.23202911
Monoisotopic Mass754.23202911
Topological Polar Surface Area279 Ų
Heavy Atom Count53
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N1414R(E) -3',6-Disinapoylsucrose (Standard)
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