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Bile acid

LIPID_IDBA0550

CHEM_NA3¦Â,7¦Â-DIHYDROXY-5¦Â-CHOLAN-24-OIC ACID

COMMON_NA

MOL_FORMULAC24H40O4

MOL_WT392

MELT_PT166-168.5¡¬C, 124-125¡¬C(Me ESTER)(059)

BOIL_PT

OPT_ROT

REFRA_IND

DENSITY

SOLUBILITY

UV_SPEC

IR_SPECcm-1 (KBr) 1709(C=0), 1031(3¦Â-COH),

1016(7¦Â-COH) (059)

NMR_SPEC1H-NMR (059), 18-CH3=0.71(s), 19-CH3=1.00(s),

7¦Á-H=3.65(brm), 3¦Á-H=4.07

(m)13C-NMR(CDCl3)Me ESTER (060),

C1=29.3,C2=27.2,C3=65.7,C4=34.1,C5=36.7,C6=36.5,

C7=70.7,C8=43.0,C9=38.2,C10=34.1,C11=21.1,C12=3

9.8,C13=43.2,C14=55.6,C15=26.5,C16=28.2,C17=54.5

MS_SPECMe-TMS 550, 535, 460, 445, 370(BASE PEAK), 355,

255 (003)

NOTE_SPEC

SOURCE

BIOL_ACTIV

NOTE

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