Products for Research Use Only
RegisterLogin

Ligustroflavone

CAT: 0013-GTR19159803-08Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19159803-08Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Ligustroflavone has anti-inflammatory activity.
CAS Number
260413-62-5
Product Name Alternative
Nuezhenoside
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 125 mg/mL (172.49 mM)
Smiles
C1 (cc (=O) c2c (cc (cc2o1) O[C@@H]1O[C@@H] ([C@H] ([C@@H] ([C@H]1O[C@@H]1O[C@H] ([C@@H] ([C@H] ([C@H]1O) O) O) C) O) O) CO[C@@H]1O[C@H] ([C@@H] ([C@H] ([C@H]1O) O) O) C) O) c1ccc (cc1) O
Molecular Formula
C33H40O18
Molecular Weight
724.67
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ligustroflavone

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

CAS Number260413-62-5
PubChem CID10417462
IUPAC Name7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
Molecular FormulaC33H40O18
Molecular Weight724.7
XLogP-1.9
Topological Polar Surface Area284
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Heavy Atom Count51
Formal Charge0
Complexity1210
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O
InChI
InChI=1S/C33H40O18/c1-11-22(37)25(40)28(43)31(46-11)45-10-20-24(39)27(42)30(51-32-29(44)26(41)23(38)12(2)47-32)33(50-20)48-15-7-16(35)21-17(36)9-18(49-19(21)8-15)13-3-5-14(34)6-4-13/h3-9,11-12,20,22-35,37-44H,10H2,1-2H3/t11-,12-,20+,22-,23-,24+,25+,26+,27-,28+,29+,30+,31+,32-,33+/m0/s1
InChIKey
NULBHTHMVOCGOE-ZBCCAYPVSA-N
Chemical Structure
2D Structure
2D structure of Ligustroflavone
CAS: 260413-62-5
CID: 10417462
Formula: C33H40O18
MW: 724.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight724.7
XLogP3-1.9
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count8
Exact Mass724.22146442
Monoisotopic Mass724.22146442
Topological Polar Surface Area284 Ų
Heavy Atom Count51
Formal Charge0
Complexity1210
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
300564Ligustroflavone
371646Ligustroflavone discontinued
A14679-10Ligustroflavone 10mg
A14679-25Ligustroflavone 25mg
HY-N0546RLigustroflavone (Standard)
A14679-50Ligustroflavone 50mg
A14679-5Ligustroflavone 5mg

Popular Products