3-Oxo-5Β-Cholanoic Acid 3-氧代-5β-胆酸
CAS 1553-56-6 MFCD00046265
化学结构图
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
化学属性
| Mol. Formula | C24H38O3 |
|---|---|
| Mol. Weight | 374.57 |
别名和识别编码
| Chemical Name | 3-Oxo-5Β-Cholanoic Acid |
|---|---|
| Synonym | 5-beta-Cholanic acid-3-one 3-Ketolithocholic acid 4-((5R,8R,10S,13R,17R)-10,13-Dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid 3-Oxocholanic acid 3-Keto-5β-cholanic acid Dehydrolithocholic acid 3-Oxolithocholic acid 3-Oxo-5-beta-cholan-24-oic acid 4-((5R,8R,10S,13R,17R)-10,13-Dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid Cholan-24-oic acid, 3-oxo-, (5-beta)- Dehydrolithocholic acid |
| MDL Number | MFCD00046265 |
| PubChem Substance ID | 354335344 |
| Chemical Name Translation | 3-氧代-5β-胆酸 |
| CAS Number | 1553-56-6 |
| InChI | InChI=1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)/t15-,16-,18+,19-,20+,21+,23+,24-/m1/s1 |
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分类
- {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; carboxylic acid; ketone; chiral; 1fragment
- {SNA} Bile acids and Derivatives, Biochemicals and Reagents, Lipids, Sterol Lipids
相关文献及参考
- Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed v
安全信息
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 250 ug/disc REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 4,1179,1983
- H315 Causes skin irritation 会刺激皮肤
GHS Symbol
- P302+P352+P332+P313+P362+P364
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P305+P351+P338+P337+P313
