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Bile acid

LIPID_IDBA0113

CHEM_NA3¦Á,7¦Â-DIHYDROXY-24-NOR-5¦Â-CHOLAN-23-OI

C ACID

COMMON_NANORURSODEOXYCHOLIC ACID

MOL_FORMULAC23H38O4

MOL_WT378

MELT_PT248-250¡¬C(FROM ACETONE-MeOH),178-180¡¬C(Me

ESTER)

BOIL_PT

OPT_ROT

REFRA_IND

DENSITY

SOLUBILITY

UV_SPEC

IR_SPEC

NMR_SPEC1H-NMR(CDCl3+10%

DMSO-d6)0.70(s,18-Me),0.93(s,19-Me),0.98(d,J=5.5H

z,21-Me), 3.41(m,3¦Â- and 7¦Á-H)(174) 13C-NMR(Me

ESTER) C1=34.7, C2=30.1, C3=71.0, C4=37.1,

C5=42.3, C6=36.9, C7=71.0, C8=43.5, C9=39.0,

C10=33.9, C11=21.0, C12=39.9, C17=54.9, C18=12.0,

C19=23.2, C20=33.5, C21=19.5, C22=41.3,

C23=173.8, C/COOMe=51.2 (174)

MS_SPECMe ESTER M/Z(RELATIVE

INTENSITY)392(3%,M+),374(25%,M-H2O),356(55%,M-2

xH2O),341(50%),302(20%),283(56%),255(53%)(174)

NOTE_SPEC

SOURCE

BIOL_ACTIV

NOTE

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