Triglochinic acid

CAT: 0804-HY-N6822-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N6822-01Size:5 mg

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Description

Triglochinic acid is a monomeric compound isolated from tubers of Pinellia pedatisecta Schott[1].

CAS Number

31795-12-7

UNSPSC

12352211

Hazard Statement

H315, H319, H335

Target

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/triglochinic-acid.html

Purity

95.86

Solubility

DMSO : ≥ 100 mg/mL

Smiles

OC(C/C=C(CC(O)=O)/C(O)=O)=O

Molecular Formula

C7H8O6

Molecular Weight

188.13

Precautions

H315, H319, H335

References & Citations

[1]Yong Jing, et al. Study on the identification of Pinelliae rhizoma and Pinelliae pedatisectae rhizoma based on the characteristic component triglochinic acid. RSC Advances. 2019 (21) .

Shipping Conditions

Room Temperature

Storage Conditions

4°C (Powder, protect from light)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Triglochinic acid

CAS Number	31795-12-7
PubChem CID	12444517
IUPAC Name	(E)-but-2-ene-1,2,4-tricarboxylic acid
Molecular Formula	C7H8O6
Molecular Weight	188.13
XLogP	-0.8
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	264

SMILES

C(/C=C(\CC(=O)O)/C(=O)O)C(=O)O

InChI

InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1H,2-3H2,(H,8,9)(H,10,11)(H,12,13)/b4-1+

InChIKey

PQFOLJLIMNNJQY-DAFODLJHSA-N

Chemical Structure

2D Structure

CAS: 31795-12-7

CID: 12444517

Formula: C7H8O6

MW: 188.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	188.13
XLogP3	-0.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	188.03208797
Monoisotopic Mass	188.03208797
Topological Polar Surface Area	112 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN2366-01	Triglochinic acid
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Triglochinic acid

Chemical Information

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