3β-hydroxy-4β-methyl-5α-cholest-7-ene-4α-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-DSHYQQBWSA-M

Synonyms

17-(1,5-dimethylhexyl)-3-hydroxy-4,10,13-trimethyl-2,3,4,5,6,9, 10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a] phenanthrene-4-carboxylic acid

Databases

MetaCyc: CPD-5846

HMDB: HMDB11662

ChemSpider: 20015982

ChEBI: 58387

PubChem (CID): 21145105

KEGG: C04840

Seed: cpd02939

MetaNetX: MNXM853