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Bile acid

LIPID_IDBA0099

CHEM_NA(22S,23S)-3¦Á,7¦Â-DIHYDROXY-22,23-METHYLENE-

5¦Â-CHOLAN-24-OIC ACID

COMMON_NA

MOL_FORMULAC25H40O4

MOL_WT404

MELT_PT248-251¡¬C(170)

BOIL_PT

OPT_ROT[¦Á]25/D : +56.4(EtOH) (171)

REFRA_IND

DENSITY

SOLUBILITY2.5¦ÌM (171)

UV_SPEC

IR_SPEC(NUJOL) 3380cm-1(OH), 1700cm-1(C=O) (170)

NMR_SPECPMR(CD3OD+CDCl3) : 0.67(s,18-Me), 0.93(s,19-Me),

1.00(d,21-Me),3.30-3.70 (m,CHOH),4.53(s,OH AND

CO2H)(170) CMR Me ESTER : C-16 28.9,C-17

57.6,C-20 34.8,C-21 21.3,C-22 17.8,C-23 30.6,

C-24 175.8,C CO2Me 16.3 (170) C-24 175.8,C

CO2Me 16.3 (170)"

MS_SPEC

NOTE_SPECCRITTCAL MICELLAR CONCENTRATION: 25¦ÌM

HYDROPHILICITY(C-18 HPLC) : 0.21 pKa : 5.06 (171)

SOURCE

BIOL_ACTIV

NOTE

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