(4R)-4-[(1R,3aS,3bR,5aS,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-4,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid | C24H36O5 | MFCD00200677 | C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3=O | 33416, AA00DJD4, AG00DJFW, AG31524, AO31524, B443843, CS-0016035, CSC159241371, H37310, HY-41325, LN04628492, T85011 | Chemspace

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Home CSSS00159241371

Structure Info

Chemspace ID: CSSS00159241371 (In-Stock Screening Compounds)

MFCD: MFCD00200677

IUPAC Name: (4R)-4-[(1R,3aS,3bR,5aS,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-4,11-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Mol formula: C₂₄H₃₆O₅

Mol weight: 405 Da

Catalog Number(s): 33416, AA00DJD4, AG00DJFW, AG31524, AO31524, B443843, CS-0016035, CSC159241371, H37310, HY-41325, LN04628492, T85011

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SMILES
INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 3.43

Heavy atoms count: 29

Rotatable bond count: 4

Number of rings: 4

Carbon bond saturation, Fsp3: 0.875

Polar surface area (Å): 92

Hydrogen bond acceptors count: 5

Hydrogen bond donors count: 2

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Items Overall 4 items from 2 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, $	Qty
MedChemExpress	10 days	United States To:	90	5 mg	200	Go to cart Enquire
MedChemExpress	10 days	United States To:	90	10 mg	320	Go to cart Enquire
Description: Names: 7,12-Diketolithocholic acid; 7,12-Dioxolithocholic acid; 3-Hydroxy-7,12-diketocholanoic acid; 7,12-Diketo-LCA; Product Description: 7,12-Diketolithocholic acid (7,12-Diketo-LCA) is a bile acid, which can be produced in the host-gut microbial co-metabolism of the bile acid pool .; Target: Endogenous Metabolite; CAS: 517-33-9
MedChemExpress EU	10 days	Sweden To:	90	5 mg	211	Go to cart Enquire
MedChemExpress EU	10 days	Sweden To:	90	10 mg	338	Go to cart Enquire
Description: Names: 7,12-Diketolithocholic acid; 7,12-Dioxolithocholic acid; 3-Hydroxy-7,12-diketocholanoic acid; 7,12-Diketo-LCA; Product Description: 7,12-Diketolithocholic acid (7,12-Diketo-LCA) is a bile acid, which can be produced in the host-gut microbial co-metabolism of the bile acid pool; Target: Endogenous Metabolite; CAS: 517-33-9

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