3β-hydroxy-4α-methyl-5α-cholest-7-ene-4β-carboxylate

Chemical Formula:

C₂₉H₄₇O₃

Molecular Weight:

443.688 Daltons

Monoisotopic Mass:

444.3603454071 Daltons

SMILES:

CC(C)CCCC(C)[CH]4(CC[CH]3(C(C)(CC[CH]2(C(=CC[CH]1(C(C)(C([O-])=O)C(CCC(C)12)O))3))4))

InChI:

1S/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)/p-1/t19-,21-,22+,23+,24-,25+,27-,28-,29-/m1/s1

InChIKey:

UQFZKTIHSICSPG-HBQODBAGSA-M

Databases

MetaCyc: CPD-21724

PubChem (CID): 135397947