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

Chemical Formula:

C₂₉H₄₈O₂

Molecular Weight:

428.697 Daltons

Monoisotopic Mass:

428.365430785 Daltons

SMILES:

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

InChI:

1S/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h10,18-20,22-26,31H,7-9,11-17H2,1-6H3/t20-,22-,23+,24+,25-,26+,27-,28-,29+/m1/s1

InChIKey:

HCOOTBJPHHNRCV-AQTSNUJDSA-N

Databases

MetaCyc: CPD-5845

PubChem (CID): 21145202

ChEBI: 16286

KEGG: C11509

RefMet: 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde

Seed: cpd08348

HMDB: HMDB59643

MetaNetX: MNXM1035