β-D-galactosyl-deoxycholate

Chemical Formula:

C₃₀H₅₀O₉

Molecular Weight:

554.72 Daltons

Monoisotopic Mass:

554.3454832039 Daltons

SMILES:

CC([CH]3(CC[CH]4([CH]2(CC[CH]1(CC(O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC(=O)OC5(OC(CO)C(O)C(O)C(O)5)

InChI:

1S/C30H50O9/c1-15(4-9-24(34)39-28-27(37)26(36)25(35)22(14-31)38-28)19-7-8-20-18-6-5-16-12-17(32)10-11-29(16,2)21(18)13-23(33)30(19,20)3/h15-23,25-28,31-33,35-37H,4-14H2,1-3H3/t15-,16-,17-,18+,19-,20+,21+,22-,23+,25+,26+,27-,28+,29+,30-/m1/s1

InChIKey:

LPVGHTWOGSYJGC-AAEPZSDASA-N

Synonyms

deoxycholayl-24-galactoside

Databases

MetaCyc: CPD-19689

PubChem (CID): 102209872

MetaNetX: MNXM167290