Alisol F

CAT: 0804-HY-N0854-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-N0854-01Size:1 mg

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Description

Alisol F is a triterpene isolated from Alisma orinentale, has immunosuppressive and anti-virus functions. Alisol F exhibits inhibitory activity in vitro on hepatitis B virus (HBV) surface antigen (HBsAg) secretion of the HepG2.2.15 cell line with an IC50 of 0.6 μM[1].

CAS Number

155521-45-2

UNSPSC

12352005

Target

HBV

Type

Natural Products

Related Pathways

Anti-infection

Applications

Neuroscience-Neuromodulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/Alisol-F.html

Purity

99.89

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

C[C@]1(C(C[C@@H]2O)=C([C@@H]3C)[C@](O[C@@]([C@@H](O)C(C)(O)C)([H])C3)([H])C1)[C@]([C@]2([H])[C@]4(CCC5=O)C)(CC[C@@]4([H])C5(C)C)C

Molecular Formula

C30H48O5

Molecular Weight

488.70

References & Citations

[1]Zhi-Yong Jiang, et al. A new triterpene and anti-hepatitis B virus active compounds from Alisma orientalis.Planta Med

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Alisol F

See also: Alisma plantago-aquatica subsp. orientale root (part of).

CAS Number	155521-45-2
PubChem CID	76310822
IUPAC Name	(1S,2R,4S,6S,8R,12S,13S,14S,19R)-6-[(1R)-1,2-dihydroxy-2-methylpropyl]-12-hydroxy-1,2,8,14,18,18-hexamethyl-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicos-9-en-17-one
Molecular Formula	C30H48O5
Molecular Weight	488.7
XLogP	3.5
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	35
Formal Charge	0
Complexity	950

SMILES

C[C@@H]1C[C@H](O[C@@H]2C1=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(C2)C)C)(C)C)C)O)[C@H](C(C)(C)O)O

InChI

InChI=1S/C30H48O5/c1-16-13-19(25(33)27(4,5)34)35-20-15-30(8)17(23(16)20)14-18(31)24-28(6)11-10-22(32)26(2,3)21(28)9-12-29(24,30)7/h16,18-21,24-25,31,33-34H,9-15H2,1-8H3/t16-,18+,19+,20+,21+,24+,25-,28+,29+,30+/m1/s1

InChIKey

YNKJSQIXVXWFBK-SLGDLKFASA-N

Chemical Structure

2D Structure

CAS: 155521-45-2

CID: 76310822

Formula: C30H48O5

MW: 488.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	488.7
XLogP3	3.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	488.35017463
Monoisotopic Mass	488.35017463
Topological Polar Surface Area	87 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	950
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-N0853-01	Alisol A
HY-N0853R	Alisol A (Standard)
HY-N6570	Alisol C
HY-N0855-01	Alisol G
HY-N0805A-01	Alisol B
HY-129161	Alisol O
HY-N0805AR	Alisol B (Standard)
HY-129162	Alisol A 23-acetate
HY-126365	Alisol B acetate
HY-N0853A-01	Alisol A 24-acetate

Alternative Products

Catalog	Name
AB1084	Alisol A
M32632-01	Alisol P
M31279-01	Alisol C
M29616-01	Alisol G
FA44561-01	Alisol B
TQ0248-01	Alisol F
379543	Alisol O

Alisol F

Chemical Information

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