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Grosvenorine

CAT: 0804-HY-N3031-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N3031-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Grosvenorine is the major flavonoid compound of the fruits of Siraitia grosvenorii. Grosvenorine exhibits good antibacterial and antioxidant activities[1].
CAS Number
156980-60-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/grosvenorine.html
Purity
99.64
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1C(O[C@H]2[C@@H]([C@@H]([C@@H](O)[C@H](C)O2)O)O)=C(C3=CC=C(O)C=C3)OC4=CC(O[C@H]5[C@@H]([C@@H]([C@@H](O)[C@H](C)O5)O)O[C@]6([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)=CC(O)=C41
Molecular Formula
C33H40O19
Molecular Weight
740.66
Precautions
H302, H315, H319
References & Citations
[1]Wang M, et al. The Gastrointestinal Tract Metabolism and Pharmacological Activities of Grosvenorine, a Major and Characteristic Flavonoid in the Fruits of Siraitia grosvenorii. Chem Biodivers. 2015 Nov;12 (11) :1652-64.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Grosvenorine

7-{[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}chromen-4-one has been reported in Sedum sarmentosum with data available.

CAS Number156980-60-8
PubChem CID101568804
IUPAC Name7-[(2S,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Molecular FormulaC33H40O19
Molecular Weight740.7
XLogP-1.7
Topological Polar Surface Area304
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Heavy Atom Count52
Formal Charge0
Complexity1260
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=C(C=C6)O)O)O)O
InChI
InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(46-10)51-29-22(40)18-15(36)7-14(8-16(18)49-28(29)12-3-5-13(35)6-4-12)48-33-30(25(43)20(38)11(2)47-33)52-32-27(45)24(42)21(39)17(9-34)50-32/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17+,19-,20-,21+,23+,24-,25+,26+,27+,30+,31-,32-,33-/m0/s1
InChIKey
FFGGWIVHOGEVSP-NWQOLJAQSA-N
Chemical Structure
2D Structure
2D structure of Grosvenorine
CAS: 156980-60-8
CID: 101568804
Formula: C33H40O19
MW: 740.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight740.7
XLogP3-1.7
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count19
Rotatable Bond Count8
Exact Mass740.21637904
Monoisotopic Mass740.21637904
Topological Polar Surface Area304 Ų
Heavy Atom Count52
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
N2005-10Grosvenorine
371521Grosvenorine discontinued
A12164-50Grosvenorine 50mg
A12164-25Grosvenorine 25mg
A12164-10Grosvenorine 10mg
A12164-100Grosvenorine 100mg
A12164-5Grosvenorine 5mg
A12164-1Grosvenorine 1mg
A12164-10mM-DGrosvenorine 10mM * 1mL in DMSO

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