12-α-hydroxy-3 oxochola-4,6-dienoate





Chemical Formula:
C24H33O4
Molecular Weight:
385.522 Daltons
Monoisotopic Mass:
386.2457095798 Daltons
SMILES:
CC([CH]3(CC[CH]4([CH]2(C=CC1(=CC(=O)CCC(C)1[CH]2CC(O)C(C)34)))))CCC([O-])=O
InChI:
1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/p-1/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1

Synonyms
  • 3-dehydro-Δ4,6-deoxycholate

Databases
MetaCyc:  CPD-7274
ChemSpider:  20171374
ChEBI:  58804
PubChem (CID):  20848947
KEGG:  C15569
Seed:  cpd11235
MetaNetX:  MNXM4249