![(R)-METHYL 4-((3R,5R,8R,9S,10S,13R,14S,17R)-3-HYDROXY-10,13-DIMETHYLHEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-17-YL)PENTANOATE structure, CAS 1249-75-8](/structures/120000/100234_1_1249_75_8.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1249-75-8 |
| Catalog No. | 2A-0100234 |
| Chinese Name | 3-Alpha-羟基-5-beta-24-胆烷酸甲酯 |
| Synonyms | lithocholic acid methyl ester; methyl lithocholate |
| Molecular Formula | C25H42O3 |
| Molecular Weight | 390.59900 |
| Purity | 96+ |
| EINECS | 0 |
| HTC | 0 |
| UN(IATA) | 0 |
| SMILES | COC(=O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C |
| InChI | InChI=1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1 |
| InChI Key | YXZVCZUDUJEPPK-BADAPYLJSA-N |
| MSDS | msds/100234_1_1249_75_8.pdf |
| Transport Info | Product Name: 3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OIC ACID METHYL ESTER |
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