3-Epiursolic Acid

CAT: 0957-E7365Size: 5 mgDry Ice: YesHazardous: No

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CAT#:0957-E7365Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

3-Epiursolic Acid is a triterpenoid that can be isolated from Eriobotrya japonica, acts as a competitive inhibitor of cathepsin L (IC50, 6.5 μM; Ki, 19.5 μM), with no obvious effect on cathepsin B.

CAS Number

989-30-0

Storage Conditions

3 years-20°C powder 2 years-80°C in solvent

Chemical Information

3Alpha-Hydroxyurs-12-En-28-Oic Acid

3β-hydroxy-12-ursen-28-ic acid has been reported in Scutellaria discolor, Salvia officinalis, and other organisms with data available.

CAS Number	989-30-0
PubChem CID	7163177
IUPAC Name	(1S,2R,4aS,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Molecular Formula	C30H48O3
Molecular Weight	456.7
XLogP	7.3
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	33
Formal Charge	0
Complexity	874

SMILES

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

InChI

InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23-,24+,27+,28-,29-,30+/m1/s1

InChIKey

WCGUUGGRBIKTOS-XHINXETDSA-N

Chemical Structure

2D Structure

CAS: 989-30-0

CID: 7163177

Formula: C30H48O3

MW: 456.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	456.7
XLogP3	7.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	456.36034539
Monoisotopic Mass	456.36034539
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	874
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

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Alternative Products

Catalog	Name
HY-N4289-01	3-Epiursolic Acid
HY-N4289R	3-Epiursolic Acid (Standard)
34825450-1g	3,3',5-Triiodothyroacetic acid, free acid
D54560-01	3 3'-Dithiodipropionic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
426860	3,3'-Thiodipropanoic Acid
426758-01	3,3-Difluorocyclobutanecarboxylic acid
TN9211-01	3,3-Dimethylbutyric acid
273273-01	3,3-Diphenylpropionic Acid

3-Epiursolic Acid

Chemical Information

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