dimeric urushiol peroxide
Chemical Formula:
C42H58O5
Molecular Weight:
642.917 Daltons
Monoisotopic Mass:
642.4284249723 Daltons
SMILES:
CC=CC=CC=CC(OC(C=CC=CC=CC)CCCCCCCC1(C(O)=C(C=CC=1)O))CCCCCCCC2(C=CC=C(O)C(O)=2)
InChI:
1S/C42H58O5/c1-3-5-7-11-19-29-37(31-21-15-9-13-17-25-35-27-23-33-39(43)41(35)45)47-38(30-20-12-8-6-4-2)32-22-16-10-14-18-26-36-28-24-34-40(44)42(36)46/h3-8,11-12,19-20,23-24,27-30,33-34,37-38,43-46H,9-10,13-18,21-22,25-26,31-32H2,1-2H3/b5-3-,6-4-,11-7+,12-8+,29-19+,30-20+
InChIKey:
Databases
MetaCyc:
CPD-9598
PubChem (CID):
91819806
Seed:
cpd25746
MetaNetX:
MNXM17301