echinenone

Chemical Formula:

C₄₀H₅₄O

Molecular Weight:

550.866 Daltons

Monoisotopic Mass:

550.4174663555001 Daltons

SMILES:

CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CCCC2(C)C)C)

InChI:

1S/C40H54O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+

InChIKey:

QXNWZXMBUKUYMD-QQGJMDNJSA-N

Synonyms

beta,beta-Caroten-4-one

Databases

MetaCyc: CPD-7850

LIPID MAPS: LMPR01070060

ChemSpider: 4444648

ChEBI: 4746

PubChem (CID): 5281236

KEGG: C08592

Seed: cpd05499

MetaNetX: MNXM3591

PupChem (SID): 10785

KNApSAcK: C00000925

PDB-CCD: ECH

3DMET: B01110

NIKKAJI: J11.386G