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Regaloside A

CAT: 0931-TN6489-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TN6489-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114420-66-5
Target
NO Synthase, Others, NF-κB
Related Pathways
Immunology/Inflammation, Others, NF-κB
Purity
0.9991
Bioactivity
Regaloside A is a phenylpropane derived from lily of the valley that shows DPPH free radical scavenging activity at 160 ppm.Regaloside A has anti-inflammatory activity and antidepressant activity.
Smiles
O(C[C@@H](COC(/C=C/C1=CC=C(O)C=C1)=O)O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
Molecular Formula
C18H24O10
Molecular Weight
400.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Regaloside A

Regaloside A has been reported in Lilium pardalinum, Lilium auratum, and other organisms with data available.

CAS Number114420-66-5
PubChem CID5459131
IUPAC Name[(2S)-2-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
Molecular FormulaC18H24O10
Molecular Weight400.4
XLogP-1.1
Topological Polar Surface Area166
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity505
SMILES
C1=CC(=CC=C1/C=C/C(=O)OC[C@H](COC2C(C(C(C(O2)CO)O)O)O)O)O
InChI
InChI=1S/C18H24O10/c19-7-13-15(23)16(24)17(25)18(28-13)27-9-12(21)8-26-14(22)6-3-10-1-4-11(20)5-2-10/h1-6,12-13,15-21,23-25H,7-9H2/b6-3+/t12-,13?,15?,16?,17?,18?/m1/s1
InChIKey
PADHSFRQMFRWLS-MUWVXHEGSA-N
Chemical Structure
2D Structure
2D structure of Regaloside A
CAS: 114420-66-5
CID: 5459131
Formula: C18H24O10
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP3-1.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass400.13694696
Monoisotopic Mass400.13694696
Topological Polar Surface Area166 Ų
Heavy Atom Count28
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M32145-01Regaloside A
BFA23977-01Regaloside H
HY-N11487-01Regaloside E
AB2151Regaloside B
MBS3617928-01regaloside I
MBS5822955Regaloside K
MBS5760853Regaloside D
M29367-01Regaloside C
HY-N8155-01Regaloside F

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