Products for Research Use Only
RegisterLogin

Lappaol B

CAT: 0931-TN6463-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-TN6463-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
62359-60-8
Target
NO Synthase
Related Pathways
Immunology/Inflammation
Bioactivity
Lappaol B (burdock phenol B), a lignan from Acrtium lappa L, inhibited LPS-induced NO production in RAW264.7 cells.
Smiles
O(C)C1=C2C([C@H](CO)[C@H](O2)C3=CC(OC)=C(O)C=C3)=CC(C[C@@H]4[C@@H](CC5=CC(OC)=C(OC)C=C5)COC4=O)=C1
Molecular Formula
C31H34O9
Molecular Weight
550.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lappaol B

Lappaol B is a member of benzofurans.

CAS Number62359-60-8
PubChem CID46173977
IUPAC Name(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl]oxolan-2-one
Molecular FormulaC31H34O9
Molecular Weight550.6
XLogP4.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity825
SMILES
COC1=C(C=C(C=C1)C[C@H]2COC(=O)[C@@H]2CC3=CC4=C(C(=C3)OC)O[C@@H]([C@H]4CO)C5=CC(=C(C=C5)O)OC)OC
InChI
InChI=1S/C31H34O9/c1-35-25-8-5-17(12-27(25)37-3)9-20-16-39-31(34)21(20)10-18-11-22-23(15-32)29(40-30(22)28(13-18)38-4)19-6-7-24(33)26(14-19)36-2/h5-8,11-14,20-21,23,29,32-33H,9-10,15-16H2,1-4H3/t20-,21+,23-,29+/m0/s1
InChIKey
KNSPNZVXPUCWMJ-WHNHDLKRSA-N
Chemical Structure
2D Structure
2D structure of Lappaol B
CAS: 62359-60-8
CID: 46173977
Formula: C31H34O9
MW: 550.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.6
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass550.22028266
Monoisotopic Mass550.22028266
Topological Polar Surface Area113 Ų
Heavy Atom Count40
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TN1072-01Lappaol A
TN4410Lappaol C
TN8855-01Lappaol H
TN4411Lappaol F
TN10667-01Maniwamycin B
TN4513Meliasenin B
TN4671Norpterosin B
TN8931-01Yakuchinone B
T73054-01Moiramide B
T125864-01Nelumnucifoside B

Alternative Products

CatalogName
MCA33308-01Lappaol A
HY-N13359Lappaol B
M31750-01Lappaol C
HY-N7223Lappaol F
GTR19242718-01Lappaol H

Popular Products