4α-methyl-5α-cholest-7-en-3-one

Chemical Formula:

C₂₈H₄₆O

Molecular Weight:

398.671 Daltons

Monoisotopic Mass:

398.3548660987 Daltons

SMILES:

CC(C)CCC[CH](C)[CH]3(CC[CH]4(C2(=CC[CH]1(C(C)C(=O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19-,20+,22-,23+,24+,25+,27-,28+/m1/s1

InChIKey:

OWKGVPXWOHLTSL-LIUJFMQASA-N

Databases

MetaCyc: 4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON

HMDB: HMDB11606

ChemSpider: 389311

ChEBI: 16495

PubChem (CID): 440345

KEGG: C04453

Seed: cpd02719

MetaNetX: MNXM1461

3DMET: B01766