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Bile acid

LIPID_IDBA0470

CHEM_NA3¦Á,4¦Â,7¦Á,12¦Á-TETRAHYDROXY-5¦Â-CHOLAN-2

4-OIC ACID

COMMON_NA

MOL_FORMULAC24H40O6

MOL_WT424

MELT_PT150¡Á152¡¬C(007)

BOIL_PT

OPT_ROT

REFRA_IND

DENSITY

SOLUBILITY

UV_SPEC

IR_SPEC1703(C=O),3396,1028(OH) (007)

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

0.65(s),19-Me 0.90(s),21-Me 0.95(d),COOMe 3.64(s)

13C-NMR C1 34.6,C2 28.1,C3 76.0,C4 75.3,C5

47.9,C6 27.5,C7 68.5,C8 39.2,C9 28.1,C10 36.8,C11

28.1,C12 73.0,C13 46.4,C14 41.6,C15 23.1,C16

27.5,C17 47.0,C18

MS_SPECMETHYL ESTER DERIVATIVE m/z

402,384,287,269(BASE PEAK),242,127 (007)

NOTE_SPEC

SOURCE¥Ò¥ÈÃÀ½Á(024,025),¥Ò¥ÈÍÓ¿å(008)

BIOL_ACTIV

NOTE

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