4-ketotorulene
Chemical Formula:
C40H52O
Molecular Weight:
548.85 Daltons
Monoisotopic Mass:
548.4018162913001 Daltons
SMILES:
CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CCC(C=1C)=O)(C)C))C)C)C)C)C)C
InChI:
1S/C40H52O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-28H,29-30H2,1-10H3/b12-11+,20-13+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
InChIKey:
Databases
MetaCyc:
CPD-7952
PubChem (CID):
87442439
ChemSpider:
8406422
Seed:
cpd24989
MetaNetX:
MNXM10209