thiothece-474
Chemical Formula:
C41H58O2
Molecular Weight:
582.908 Daltons
Monoisotopic Mass:
582.443681106 Daltons
SMILES:
CC(C=CC=C(C)C=CC=C(C)C(=O)CCC(C)(C)OC)=CC=CC=C(C)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)
InChI:
1S/C41H58O2/c1-32(20-14-22-34(3)24-16-25-37(6)39(42)29-31-41(9,10)43-11)18-12-13-19-33(2)21-15-23-35(4)27-28-38-36(5)26-17-30-40(38,7)8/h12-16,18-25,27-28H,17,26,29-31H2,1-11H3/b13-12+,20-14+,21-15+,24-16+,28-27+,32-18+,33-19+,34-22+,35-23+,37-25+
InChIKey:
Databases
MetaCyc:
CPD-17302
PubChem (CID):
23724693
KEGG:
C16279
ChEBI:
80416
Seed:
cpd14995
MetaNetX:
MNXM7804