Basic information
- CAS
1721-58-0- Standard SMILES
COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2- InChIKey
PPMUFCXCVKVCSV-VNNAKPRGSA-N- Molecular formula
- C31H48O3
- Average molar mass
- 468.7 g/mol
- Monoisotopic mass
- 468.36034539
Names & identifiers
- Preferred name
- Methyl oleanonate
- IUPAC
- 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
- English name
- 3-Oxoolean-12-en-28-oic acid methyl ester
- Molecular formula
- C31H48O3
- Molecular weight
- 468.71
Names & synonyms
Methyl oleanonate1721-58-03-Oxo-olean-12-en-28-oic acid methyl esterCHEMBL16315183-Oxoolean-12-en-28-oic acid methyl esterorb1296899SCHEMBL16152971DTXSID201316509HY-N7624Methyl 3-oxoolean-12-en-28-oateBDBM50456758TN7060
Show more names
methyl 3-oxooleanolateOlean-12-en-28-oic acid, 3-oxo-, methyl esteragonist,oleanolic acid derivative,PPAR,Methyl oleanonate,Inhibitor,MCF-7,HeLa,inhibit,Peroxisome proliferator-activated receptors,PPARγ,Anticancer effect
AKOS040763800EBC-615636DA-65391methyl (4aS,6aS,6bR,8aR,12aR,12bR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylateMS-28660CS-0134812G135713-Oxo-18beta-olean-12-en-28-oic acid methyl ester
Database identifiers
- CAS
1721-58-0- PubChem CID
- 10695622
- DTXSID
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 942
Physicochemical properties
- Melting point
- 184 °C · 184 °C
- Boiling point
- 523.9 · 523.9±50.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesMethyl oleanonate is a natural triterpene PPARγ agonist isolated from the species of Pistacia lentiscus var. Chia[1]. Methyl oleanonate is a modified oleanolic acid derivative with anti-cancer effects[2].
Upstream & downstream products
Downstream products
Suppliers33 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…