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(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



(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
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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:
C24H40O4
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
Name: MFCD00003680
17ß-(1-Methyl-3-carboxypropyl)etiocholane-3a,7ß-diol
"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
3-alpha,7-beta-Dihydroxy-5-beta-cholan-24-oic acid
(6-beta)-Cholanic acid-(3-alpha)-(7-beta)-diol
7ß-Hydroxylithocholic Acid
Actigall
Adursal
Arsacol
Cholit-Ursan
Delursan
Desocol
Desol
Destolit
Deursil
(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
ursodeoxycholic acid
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk
Ursodeoxycholic acid, UDCA, Ursosan, Ursofalk, Urso Forte, Udiliv
Ursodeoxycholic acidUDCS
Ursodeoxycholoc acid
Ursodexycholic Acid
Ursodiol, 7b-Hydroxylithocholic Acid
Ursodiol (Actigal Urso)

InChI
InChI: 1S/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

Calculated Properties
Molecular formula: C24H40O4
Molecular weight: 392.58

Other

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