| CAS Number | 10538-65-5 |
| Catalog Number | AG008XLO(AGN-PC-0NW2JX) |
| Chemical Name | (3alpha,5beta,12alpha)-3,12-Dihydroxy-7-oxocholan-24-oic acid methyl ester |
| IUPAC Name | methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate |
| InChI | InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,21+,23+,24+,25-/m1/s1 |
| InChI Key | BCPZDSVCYKERMU-CDKLUHQYSA-N |
| MDL Number | MFCD00271376 |
| Molecular Formula | C25H40O5 |
| Molecular Weight | 420.5821 |
| SMILES | C[C@H](CCC(OC)=O)[C@H]1CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O |
| UNII | YZO7HX16N0 |
| Synonyms | Methyl-7-keto-3a,12a-dihydroxy-5b-cholanoate,
10538-65-5,
UNII-YZO7HX16N0,
YZO7HX16N0,
Methyl 3alpha,12alpha-dihydroxy-7-oxo-5beta-Cholan-24-oate,
Methyl 7-ketocholate,
SCHEMBL6556842,
MFCD00271376,
ZINC85210665,
5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-7-oxo-, methyl ester,
AKOS016010031,
DS-6095,
AK113111,
AJ-126731,
AX8222017,
ST24048095,
Methyl 7-keto-3a,12a-dihydroxy-5b-cholanoate,
3alpha,12alpha-Diol-7-oxo-5beta-24-cholanoic acid methyl ester,
methyl (R)-4-((3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate,
|