Lambertianic acid

CAT: 0013-GTR19224513-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19224513-01Size:100 mg

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Description

Lambertianic acid is a natural small molecule with documented anti-allergic and antibacterial properties. It is utilized in research to investigate inflammatory pathways and microbial resistance in both cellular and animal models.

CAS Number

4966-13-6

Field of Research

Cell Biology, Epigenetics & Chromatin, Metabolism Research, Molecular Biology, Protein Biochemistry

Smiles

[H][C@@]12CCC (=C) [C@H] (CCc3ccoc3) [C@@]1 (C) CCC[C@]2 (C) C (O) =O

Molecular Formula

C20H28O3

Molecular Weight

316.441

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Lambertianic Acid

structure in first sourcd

CAS Number	4966-13-6
PubChem CID	188983
IUPAC Name	methyl (1S,4aR,5S,8aR)-5-[2-(furan-3-yl)ethyl]-4a-methyl-6-methylidene-1,2,3,4,5,7,8,8a-octahydronaphthalene-1-carboxylate
Molecular Formula	C20H28O3
Molecular Weight	316.4
XLogP	4.9
Topological Polar Surface Area	39.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	458

SMILES

C[C@@]12CCC[C@@H]([C@H]1CCC(=C)[C@@H]2CCC3=COC=C3)C(=O)OC

InChI

InChI=1S/C20H28O3/c1-14-6-8-18-16(19(21)22-3)5-4-11-20(18,2)17(14)9-7-15-10-12-23-13-15/h10,12-13,16-18H,1,4-9,11H2,2-3H3/t16-,17-,18+,20-/m0/s1

InChIKey

XZOUFGJMCGQXNM-GNBUJSLZSA-N

Chemical Structure

2D Structure

CAS: 4966-13-6

CID: 188983

Formula: C20H28O3

MW: 316.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	316.4
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	316.20384475
Monoisotopic Mass	316.20384475
Topological Polar Surface Area	39.4 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	458
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Lambertianic acid

Chemical Information

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