ISO-URSODEOXYCHOLIC ACID
Molecular Formula:
C24H40O4
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/f/h27H
InChIKey: InChIKey=RUDATBOHQWOJDD-SHGVISIFDX
SMILES: [H][C@@]12C[C@@H](O)CC[C@]1(C)[C@@]3([H])CC[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@@H](O)C2)[C@H](C)CCC(O)=O
CAS number 78919-26-3
Names:
isoursodeoxycholic acid
ISO-URSODEOXYCHOLIC ACID
(3β,5β,7β)-3,7-dihydroxycholan-24-oic acid
(4R)-4-[(3S,5S,7S,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-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
Registries:
PubChem CID 127601
Beilstein =4710930
CAS 78919-26-3 (from NIST)
ChEBI 36236
chemPDB IU5
LIPID MAPS LMST04010035
PubChem ID 10241811
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|