3-dehydro-4-methylzymosterol
Chemical Formula:
C28H44O
Molecular Weight:
396.655 Daltons
Monoisotopic Mass:
396.3392160345 Daltons
SMILES:
CC(C)=CCCC(C)[CH]3(CC[CH]4(C2(CC[CH]1(C(C)C(=O)CCC(C)1C=2CCC(C)34))))
InChI:
1S/C28H44O/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/h8,19-20,22-24H,7,9-17H2,1-6H3/t19-,20+,22-,23+,24+,27-,28+/m1/s1
InChIKey:
Synonyms
- 4α-methyl-5α-cholesta-8,24-dien-3-one
- 3-keto-4-methylzymosterol
Databases
MetaCyc:
CPD-4578
ChEBI:
136486
PubChem (CID):
22298939
MetaboLights:
MTBLC50593
HMDB:
HMDB06838
KEGG:
C15816
Reactome:
194667
MetaNetX:
MNXM36392