3-Oxo-5Β-Cholanoic Acid 3-氧代-5β-胆酸

CAS 1553-56-6 MFCD00046265

化学结构图

1553-56-6
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. FormulaC24H38O3
Mol. Weight374.57

别名和识别编码

Chemical Name3-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 NumberMFCD00046265
PubChem Substance ID354335344
Chemical Name Translation3-氧代-5β-胆酸
CAS Number1553-56-6
InChIInChI=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

WGK Germany3
RTECSFZ2281400
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
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

Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
GHS Symbol
Precautionary statements
  • 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

系列性分类


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