| CAS Number | 10538-59-7 |
| Catalog Number | AG003NFS(AGN-PC-0NW2OM) |
| Chemical Name | (R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| IUPAC Name | methyl (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23+,24+,25-/m1/s1 |
| InChI Key | FNBYYFMYNRYPPC-YLOOLPOOSA-N |
| MDL Number | MFCD00271395 |
| Molecular Formula | C25H40O4 |
| Molecular Weight | 404.5827 |
| SMILES | C[C@@H]([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])CC[C@]12C)=O)CCC(OC)=O |
| Synonyms | 10538-59-7,
7-ketolithocholic Methyl ester,
(R)-Methyl 4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate,
Cholan-24-oic acid, 3-hydroxy-7-oxo-, methyl ester, (3a,5b)-,
FNBYYFMYNRYPPC-YLOOLPOOSA-N,
SCHEMBL2293490,
MFCD00271395,
ZINC34035937,
AKOS026750739,
AC-29219,
AK319409,
AS-10724,
Methyl 3alpha-hydroxy-7-keto-5beta-cholanate,
methyl 3alpha-hydroxy-7-keto-5beta-cholanoate,
Methyl 7-keto-3alpha-hydroxy-5beta-cholanoate,
Methyl-3alpha-hydroxy-7-oxo-5beta-cholanoate,
3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic acid methyl ester,
3alpha-hydroxy-7-keto-5beta-cholan-24-oic acid methyl ester,
ACN-037076,
CID9931088,
Methyl 5-.beta.-cholan-3-.alpha.-ol-7-one-24-oate,
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