3-methoxy-4-hydroxy-5-all-trans-octaprenylbenzoate

3-methoxy-4-hydroxy-5-<i>all-trans</i>-octaprenylbenzoate




Chemical Formula:
C48H71O4
Molecular Weight:
712.086 Daltons
Monoisotopic Mass:
712.5430607996 Daltons
SMILES:
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(=C(C(OC)=CC(C([O-])=O)=C1)O))C)C)C)C)C)C)C)C
InChI:
1S/C48H72O4/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48(50)51)35-46(52-10)47(44)49/h18,20,22,24,26,28,30,32,34-35,49H,11-17,19,21,23,25,27,29,31,33H2,1-10H3,(H,50,51)/p-1/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-32+
InChIKey:
DZWHYPVPTJPQQX-MYCGWMCTSA-M

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

Databases
MetaCyc:  CPD-9899
ChEBI:  84456
PubChem (CID):  54740344
Seed:  cpd25898
MetaNetX:  MNXM10058