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Ursodeoxycholic acid
SpectraBase Compound ID GsCUBULDDBD
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
InChIKey RUDATBOHQWOJDD-UZVSRGJWSA-N
Mol Weight 392.6 g/mol
Molecular Formula C24H40O4
Exact Mass 392.29266 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID EwIUW6K4NlT
Name Ursodeoxycholic acid
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number B20490
Lot Number 10162610
CAS Registry Number 128-13-2
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Formula C24H40O4
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
InChIKey RUDATBOHQWOJDD-UZVSRGJWSA-N
Instrument Name Bruker Tensor 27 FT-IR
Physical State Solid
Purity 99%
Sample Type Organic
Source of Spectrum Bio-Rad Laboratories, Inc.
Synonyms 3a,7ß-Dihydroxy-5ß-cholan-24-oic acid; 5ß-Cholan-24-oic acid-3a,7ß-diol; 7ß-Hydroxylithocholic acid; UDCS
Technique ATR-Neat (DuraSamplIR II)