demethylspheroidenone
Chemical Formula:
C40H56O2
Molecular Weight:
568.881 Daltons
Monoisotopic Mass:
568.4280310418 Daltons
SMILES:
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(O)(C)C)C)C)C)C)C)C)C
InChI:
1S/C40H56O2/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39(41)40(9,10)42/h11-12,14-15,17-20,22-26,28-31,42H,13,16,21,27H2,1-10H3/b12-11+,22-14+,23-15+,28-17+,31-30+,33-19+,34-20+,35-24+,36-25+,37-26+,38-29+
InChIKey:
Databases
MetaCyc:
CPD-11465
ChemSpider:
17220937
PubChem (CID):
16061268
Seed:
cpd22961
MetaNetX:
MNXM17205