Verbenalin

CAT: 0013-GTR19159047-02Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19159047-02Size:200 mg

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Description

Verbenalin induces angiogenesis via a programmed PI3K/Akt/eNOS/VEGF signaling axis.

CAS Number

548-37-8

Purity

>98% (HPLC)

Solubility

In Vitro: DMSO : 100 mg/mL (257.49 mM)

Smiles

[C@@H]1 ([C@H]2[C@@H] (C (=CO1) C (=O) OC) C (=O) C[C@@H]2C) O[C@H]1[C@H] (O) [C@@H] (O) [C@H] (O) [C@H] (O1) CO

Molecular Formula

C17H24O10

Molecular Weight

388.37

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

Verbenalin

Verbenalin is a terpene glycoside.

CAS Number	548-37-8
PubChem CID	73467
IUPAC Name	methyl (1S,4aS,7S,7aR)-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,6,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Molecular Formula	C17H24O10
Molecular Weight	388.4
XLogP	-1.5
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	619

SMILES

C[C@H]1CC(=O)[C@H]2[C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

InChI

InChI=1S/C17H24O10/c1-6-3-8(19)11-7(15(23)24-2)5-25-16(10(6)11)27-17-14(22)13(21)12(20)9(4-18)26-17/h5-6,9-14,16-18,20-22H,3-4H2,1-2H3/t6-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1

InChIKey

HLXRWTJXGMHOFN-XJSNKYLASA-N

Chemical Structure

2D Structure

CAS: 548-37-8

CID: 73467

Formula: C17H24O10

MW: 388.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.4
XLogP3	-1.5
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	388.13694696
Monoisotopic Mass	388.13694696
Topological Polar Surface Area	152 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
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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Catalog	Name
GTR19180096	Verbenacine

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Catalog	Name
HY-N2014-01	Verbenalin
HY-N2014R	Verbenalin (Standard)
301101	Verbenalin (Verbenaloside, Cornin)

Verbenalin

Chemical Information

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