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

Chemical Formula:

C₅₃H₇₉O₄

Molecular Weight:

780.205 Daltons

Monoisotopic Mass:

780.6056610564 Daltons

SMILES:

CC(C)=CCCC(=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/C53H80O4/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-49-38-50(53(55)56)39-51(57-11)52(49)54/h20,22,24,26,28,30,32,34,36,38-39,54H,12-19,21,23,25,27,29,31,33,35,37H2,1-11H3,(H,55,56)/p-1/b41-22+,42-24+,43-26+,44-28+,45-30+,46-32+,47-34+,48-36+

InChIKey:

FDPPBYXDOXRDHA-JSGWLJPKSA-M

Synonyms

3-methoxy-4-hydroxy-5-nonaprenylbenzoate
3-(3,7,11,15,19,23-nonamethyltetracosa-2,6,10,14,18,22-hexaenyl) -4-hydroxy-5-methoxy-benzoic acid
3-nonaprenyl-4-hydroxy-5-methoxybenzoate

Databases

MetaCyc: CPD-9898

ChEBI: 62791

PubChem (CID): 54738025

Seed: cpd25897

MetaNetX: MNXM10070