Name: 7,12-Diketolithocholic Acid
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HIT ID:HIT218769203
Cas No:
Common Name:7,12-Diketolithocholic Acid
alias:7,12-Dioxolithocholic Acid
IUPAC:4-{7-hydroxy-9a,11a-dimethyl-4,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
IUPAC:4-{7-hydroxy-9a,11a-dimethyl-4,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}pentanoic acid
InChIKey:MAFJMPFLJJCSTB-UHFFFAOYSA-N

Molecular Formula:C24H36O5
Molecular Weight:404.547
Hydrogen Bond Donor (HBD):2
Hydrogen Bond Acceptor (HBA):5
LogP:2.98
SMILES:CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(O)CC1CC3=O
SMILES:CC(CCC(O)=O)C1CCC2C3C(CC(=O)C12C)C1(C)CCC(O)CC1CC3=O

7,12-Diketolithocholic acid, a bile acid, exhibits elevated plasma levels in patients experiencing cholestasis.

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