β-Muricholic Acid

CAT: 0024-sc-477731CSize: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-477731CSize:25 mg

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CAS Number

2393-59-1

Chemical Information

beta-Muricholic acid

Beta-muricholic acid is a member of the class of muricholic acids in which the hydroxy groups at positions 6 and 7 both have beta configuration. It is a member of muricholic acids, a 7beta-hydroxy steroid and a 6beta-hydroxy steroid. It is a conjugate acid of a beta-muricholate.

CAS Number	2393-59-1
PubChem CID	5283853
IUPAC Name	(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Formula	C24H40O5
Molecular Weight	408.6
XLogP	3.9
Topological Polar Surface Area	98
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	637

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

InChI

InChI=1S/C24H40O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h13-18,20-22,25,28-29H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17+,18+,20+,21+,22-,23-,24-/m1/s1

InChIKey

DKPMWHFRUGMUKF-CRKPLTDNSA-N

Chemical Structure

2D Structure

CAS: 2393-59-1

CID: 5283853

Formula: C24H40O5

MW: 408.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	408.6
XLogP3	3.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	408.28757437
Monoisotopic Mass	408.28757437
Topological Polar Surface Area	98 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	637
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
C8619-10	β-Muricholic acid
C8617-5	α-Muricholic acid
HY-125138	ω-Muricholic Acid
HY-125138S	ω-Muricholic Acid-d5
HY-115433S	α-Muricholic acid-d5
HY-133707S	β-Muricholic acid-d5
TRC-M732755-10MG	Beta-Muricholic Acid
TRC-M732750-1MG	Alpha-Muricholic Acid
RM-T211802-01	Tauro-α-Muricholic Acid
GTR19219384-01	Tauro-β-muricholic acid

β-Muricholic Acid

Chemical Information

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