spheroiden-2-one

Chemical Formula:

C₄₁H₅₈O₂

Molecular Weight:

582.908 Daltons

Monoisotopic Mass:

582.443681106 Daltons

SMILES:

CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C)C=CC(=O)C(OC)(C)C)C)C)C)C)C)C

InChI:

1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

InChIKey:

ZQFURSYWJPLAJR-FZFXUSNISA-N

Synonyms

spheroidenone

Databases

MetaCyc: CPD-11466

ChemSpider: 4518272

ChEBI: 62480

KEGG: C15903

PubChem (CID): 5366412

Seed: cpd14633

MetaNetX: MNXM6437