Methyl oleanonate - ≥99% , CAS No.1721-58-0

CAS: 1721-58-0 Cat. No.: M648154 Formula: C31H48O3 Molecular Weight: 468.71 PubChem CID: 10695622
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
SCHEMBL16152971 | MS-28660 | BDBM50456758 | HY-N7624 | AKOS040763800 | DTXSID201316509 | Methyl oleanonate | 3-Oxo-18beta-olean-12-en-28-oic acid methyl ester | 3-Oxo-olean-12-en-28-oic acid methyl ester | 3-Oxoolean-12-en-28-oic acid methyl ester
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
Germany (EU)*
Price
Qty
1mg
M648154-1mg
Made to order · 8–12 wks
$260.90
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Overview

Methyl oleanonate is a natural triterpene PPARγ agonist isolated from the species of Pistacia lentiscus var. Chia Methyl oleanonate is a modified oleanolic acid derivative with anti-cancer effects .

Form:Solid

IC50& Target:PPARγ

Specifications

Synonyms
SCHEMBL16152971 | MS-28660 | BDBM50456758 | HY-N7624 | AKOS040763800 | DTXSID201316509 | Methyl oleanonate | 3-Oxo-18beta-olean-12-en-28-oic acid methyl ester | 3-Oxo-olean-12-en-28-oic acid methyl ester | 3-Oxoolean-12-en-28-oic acid methyl ester
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
Methyl oleanonate is a natural triterpene PPARγ agonist isolated from the species of Pistacia lentiscus var. Chia. Methyl oleanonate is a modified oleanolic acid derivative with anti-cancer effects.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
AGONIST
Purity
≥99%
Names and Identifiers
Canonical Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)OC)C
IUPAC Name
methyl (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylate
InChIKey
PPMUFCXCVKVCSV-VNNAKPRGSA-N
INCHI
1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
Isomeric SMILES
C[C@]12CCC(=O)C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)OC)C)C)(C)C
Alternate CAS
1721-58-0
PubChem CID
10695622
Molecular Weight
468.71

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassLipids and lipid-like molecules
ClassPrenol lipids
SubclassTriterpenoids
Intermediate Tree Nodes Not available
Direct ParentTriterpenoids
Alternative Parents Methyl esters  Cyclic ketones  Monocarboxylic acids and derivatives  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic homopolycyclic compounds
Substituents Triterpenoid - Methyl ester - Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homopolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
STAT3 Tchem Signal transducer and activator of transcription 3 (3313 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-453 (1139 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PC-3 (62116 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
T47D (39041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HeLa (62764 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SR (39847 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
J774.A1 (2436 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAW264.7 (28094 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates (CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 2.5 mg/mL (5.33 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight468.700 g/mol
XLogP37.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass468.36 Da
Monoisotopic Mass468.36 Da
Topological Polar Surface Area43.400 Ų
Heavy Atom Count34
Formal Charge0
Complexity942.000
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

Frequently Asked Questions

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1721-58-0, the molecular formula is C31H48O3, and the molecular weight is 468.71 g/mol. InChIKey PPMUFCXCVKVCSV-VNNAKPRGSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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