Cas no 10538-58-6 (Methyl 3-Oxo-desoxycholate)
Methyl 3-Oxo-desoxycholate structure
Product Name:Methyl 3-Oxo-desoxycholate
CAS No:10538-58-6
MF:C25H40O4
MW:404.582708358765
CID:214633
PubChem ID:114579
Update Time:2025-04-19
Methyl 3-Oxo-desoxycholate Chemical and Physical Properties
Names and Identifiers
-
- Cholan-24-oic acid,12-hydroxy-3-oxo-, methyl ester, (5b,12a)-
- Methyl 3-Oxo-desoxycholate
- methyl 12alpha-hydroxy-3-oxo-5beta-cholan-24-oate
- Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
- METHYL 3-KETO DEOXYCHOLATE
- Methyl 3-Oxo-desoxyc
- 11-Methylmercapto-undecansaeure-methylester
- 11-methylsulfanyl-undecanoic acid methyl ester
- 12-thiatridecanoic acid methyl ester
- 3-oxo deoxycholic acid methyl ester
- methyl 12-thiatridecanoate
- Methyl 12α-Hydroxy-3-oxo-5β-cholanate
- Methyl-3-keto-12α-hydroxy-5β-cholanoate
- 12-Hydroxy-3-oxo-cholan-24-oic Acid Methyl Ester
- 3-Oxo-12α-hydroxy-5β-cholan-24-oic acid methyl ester
- 12α-Hydroxy-3-oxo-5β-cholan-24-oic acid methyl ester
- 5.BETA.-CHOLAN-24-OIC ACID, 12.ALPHA.-HYDROXY-3-OXO-, METHYL ESTER
- EINECS 234-115-4
- METHYL 12.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLANATE
- Obeticholic Acid Intermediates
- CHOLAN-24-OIC ACID, 12-HYDROXY-3-OXO-, METHYL ESTER, (5.BETA.,12.ALPHA.)-
- SAO85TC57K
- METHYL-3-KETO-12.ALPHA.-HYDROXY-5.BETA.-CHOLANOATE
- UNII-SAO85TC57K
- AKOS032949943
- Methyl(5,12)-12-hydroxy-3-oxocholan-24-oate
- 10538-58-6
- Methyl (5,12)-12-hydroxy-3-oxocholan-24-oate
- 5.BETA.-CHOLANIC ACID, 12.ALPHA.-HYDROXY-3-OXO-, METHYL ESTER
- METHYL 12.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLAN-24-OATE
- METHYL (5BETA,12ALPHA)-12-HYDROXY-3-OXOCHOLAN-24-OATE
- H11552
- Methyl 12-hydroxy-3-oxocholan-24-oate
- NS00052302
- methyl (4R)-4-[(5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
- METHYL (5?,12?)-12-HYDROXY-3-OXOCHOLAN-24-OATE
- Q27289112
- DTXSID80909481
- DB-230668
- 12-Hydroxy-3-oxo-cholan-24-oic Acid Methyl Ester; Methyl 12alpha-Hydroxy-3-oxo-5beta-cholanate; Methyl-3-keto-12alpha-hydroxy-5beta-cholanoate
-
- Inchi： 1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-22,27H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,22+,24+,25-/m1/s1
- InChI Key： LOJPGRHPJBGMMF-CNZSLQMUSA-N
- SMILES： O[C@H]1C[C@@H]2[C@@]3(C)CCC(C[C@H]3CC[C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)OC)[C@]21C)=O
Computed Properties
- Exact Mass: 404.29300
- Monoisotopic Mass: 404.293
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 29
- Rotatable Bond Count: 5
- Complexity: 659
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6A^2
- XLogP3: 4.8
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.1±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 505.7±35.0 °C at 760 mmHg
- Flash Point: 162.2±19.4 °C
- Refractive Index: 1.495
- PSA: 63.60000
- LogP: 4.77450
- Vapor Pressure: No data available
Methyl 3-Oxo-desoxycholate Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ° C, -4 ° C is better
Methyl 3-Oxo-desoxycholate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M321200-250mg |
Methyl 3-Oxo-desoxycholate |
10538-58-6 | 250mg |
$ 196.00 | 2023-09-07 | ||
| TRC | M321200-2.5g |
Methyl 3-Oxo-desoxycholate |
10538-58-6 | 2.5g |
$ 1550.00 | 2023-09-07 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1575624-50mg |
Methyl (R)-4-((5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
10538-58-6 | 98% | 50mg |
￥2319.00 | 2024-08-09 |
Methyl 3-Oxo-desoxycholate Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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