(R)-Methyl 4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl)Pentanoate (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-二羟基-10,13-二甲基十六氢-1H-环戊二烯并[a]菲-17-yl)戊酸酯

CAS 3245-38-3 MFCD00046270

化学结构图

3245-38-3
SMILES: COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C

化学属性

Mol. FormulaC25H42O4
Mol. Weight406.60

别名和识别编码

Chemical Name(R)-Methyl 4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[a]Phenanthren-17-Yl)Pentanoate
CAS Number3245-38-3
Synonym (3?,5?,12?)-3,12-Dihydroxy-cholan-24-oic Acid Methyl Ester Deoxycholic Acid Methyl Ester Methyl 7-Deoxycholate 4-((3R,5R,8R,10S,12S,13R,17R)-3,12-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester 4-((3R,5R,8R,10S,12S,13R,17R)-3,12-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester methyl 3-α,12-α-dihydroxy-5-β-cholan-24-oate 3α,12α-Dihydroxy-5β-cholan-24-oic acid methyl ester Desoxycholic acid methyl ester Methyl deoxycholate Methyl desoxycholate
MDL NumberMFCD00046270
EC Number221-819-1
Chemical Name Translation(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-二羟基-10,13-二甲基十六氢-1H-环戊二烯并[a]菲-17-yl)戊酸酯
InChIKeyZHUOOEGSSFNTNP-JMKDMENQSA-N
PubChem Substance ID229346
InChIInChI=1S/C25H42O4/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/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
LabNetwork Molecule IDLN01304632
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • Steroids
  • {uni_hamburg} no charge; carbocycle; alicycle; large ring; fused rings; 5ring; 6ring; 9ring; 10ring; 13ring; 14ring; 17ring; ester; alcohol; chiral; 1fragment

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 versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany3

系列性分类

相关产品推荐