(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid

Compound number
MolPort-001-794-630
CAS number
128-13-2
IUPAC
(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid
IUPAC traditional
ursodeoxycholic acid
SMILES
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI key
RUDATBOHQWOJDD-UZVSRGJWSA-N
Molecular formula
Molecular weight
392.58
Solubility
not available

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More Information

Compound identifiers

Compound number
MolPort-001-794-630
CAS number
128-13-2

Names, Synonyms and 3rd Party Identifiers

"3α,7β-Dihydroxy-5β-cholan-24-oic acid, 5β-Cholan-24-oic acid-3α,7β-diol, 7β-Hydroxylithocholic acid"
(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid
(6-beta)-Cholanic acid-(3-alpha)-(7-beta)-diol
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
17ß-(1-Methyl-3-carboxypropyl)etiocholane-3a,7ß-diol
3-alpha,7-beta-Dihydroxy-5-beta-cholan-24-oic acid
7ß-Hydroxylithocholic Acid
Actigall
Adursal
Arsacol
Cholit-Ursan
Delursan
Desocol
Desol
Destolit
Deursil
Ursodeoxycholate Ursodiol UDCA
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv
Ursodeoxycholic acidUDCS
Ursodeoxycholicacid
Ursodeoxycholoc acid
Ursodexycholic Acid
Ursodiol
Ursodiol UDCA
Ursodiol, 7b-Hydroxylithocholic Acid
ursodeoxycholic acid
MFCD00003680

InChI

InChI
1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChI key
RUDATBOHQWOJDD-UZVSRGJWSA-N

Formula

Molecular formula
C24H40O4
Molecular weight
392.58

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