CAS 7753-72-2 MFCD00271381-5beta-Cholanic acid 3,7-dione methyl ester 5β-胆烷酸3,7-二酮甲酯 -LabNovo

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

Mol. Formula	C25H38O4
Mol. Weight	402.57

Chemical Name	5β-Cholanic acid 3,7-dione methyl ester
MDL Number	MFCD00271381
CAS Number	7753-72-2
Synonym	5β-Cholanic acid 3,7-dione methyl ester {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5β-Cholanic acid 3,7-dione methyl ester {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation	5β-胆烷酸3,7-二酮甲酯
PubChem Substance ID	14237020
InChI	InChI=1S/C25H38O4/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/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,23+,24+,25-/m1/s1
Canonical SMILES	C[C@H](CCC(OC)=O)[C@H]1CC[C@@]2([H])[C@]3([H])C(C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O)=O

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