3,4-dihydroxy-5-all-trans-octaprenylbenzoate

3,4-dihydroxy-5-<i>all-trans</i>-octaprenylbenzoate




Chemical Formula:
C47H69O4
Molecular Weight:
698.06 Daltons
Monoisotopic Mass:
698.5274107353999 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(=CC(C([O-])=O)=C1)O)O))C)C)C)C)C)C)C)C
InChI:
1S/C47H70O4/c1-35(2)17-10-18-36(3)19-11-20-37(4)21-12-22-38(5)23-13-24-39(6)25-14-26-40(7)27-15-28-41(8)29-16-30-42(9)31-32-43-33-44(47(50)51)34-45(48)46(43)49/h17,19,21,23,25,27,29,31,33-34,48-49H,10-16,18,20,22,24,26,28,30,32H2,1-9H3,(H,50,51)/p-1/b36-19+,37-21+,38-23+,39-25+,40-27+,41-29+,42-31+
InChIKey:
ZTGCMYPRIIAXFD-LHSBZCSKSA-M

Synonyms
  • 3-(3,7,11,15,19,23-octamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4,5-dihydroxy-benzoic acid
  • 3-octaprenyl-4,5-dihydroxybenzoate

Databases
MetaCyc:  CPD-9894
ChEBI:  84452
PubChem (CID):  54740337
Seed:  cpd25893
MetaNetX:  MNXM9953