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Bile acid

LIPID_IDBA0452

CHEM_NA3¦Á,4¦Â,12¦Á-TRIHYDROXY-5¦Â-CHOLAN-24-OIC

ACID

COMMON_NA

MOL_FORMULAC24H40O5

MOL_WT408

MELT_PT151¡Á152¡¬C(007)

BOIL_PT

OPT_ROT

REFRA_IND

DENSITY

SOLUBILITY

UV_SPEC

IR_SPEC1706(C=O),3402,1036(OH) (007)

NMR_SPECMETHYL ESTER DERIVATIVE 1H-NMR(CDCl3) 18-Me

0.66(s),19-Me 0.93(s),21-Me 0.94(d),COOMe 3.64(s)

13C-NMR C1 34.6,C2 27.4,C3 76.7,C4 72.5,C5

48.5,C6 20.8,C7 25.8,C8 35.9,C9 35.4,C10 36.4,C11

28.7,C12 73.0,C13 46.5,C14 48.3,C15 23.6,C16

27.4,C17 47.3,C18

MS_SPECMETHYL ESTER DERIVATIVE (Me-TMS) m/z

289(BASE PEAK),271 (007)

NOTE_SPEC

SOURCE

BIOL_ACTIV

NOTE

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