cholest-4-en-3-one

Chemical Formula:

C₂₇H₄₄O

Molecular Weight:

384.644 Daltons

Monoisotopic Mass:

384.3392160345 Daltons

SMILES:

CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey:

NYOXRYYXRWJDKP-GYKMGIIDSA-N

Synonyms

cholestenone
4-cholesten-3-one
4-cholestene-3-one

Databases

MetaCyc: CPD-323

RefMet: Cholestenone

HMDB: HMDB00921

LIPID MAPS: LMST01010015

ChemSpider: 82602

PubChem (CID): 91477

ChEBI: 16175

KEGG: C00599

CAS: 601-57-0

Seed: cpd00463

MetaNetX: MNXM973

PupChem (SID): 3875

CHEMBL: CHEMBL63243

LIPIDBANK: SST9045

KNApSAcK: C00036093

PDB-CCD: K2B

3DMET: B01291

NIKKAJI: J73F