3-(all-trans-octaprenyl)benzene-1,2-diol

Chemical Formula:

C₄₆H₇₀O₂

Molecular Weight:

655.058 Daltons

Monoisotopic Mass:

654.5375814912 Daltons

SMILES:

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1(C(O)=C(O)C=CC=1))C)C)C)C)C)C)C)C

InChI:

1S/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47-48H,10-16,19,21,23,25,27,29,31,35H2,1-9H3/b37-20+,38-22+,39-24+,40-26+,41-28+,42-30+,43-34+

InChIKey:

YNPGYMZVNLIZLD-BQFKTQOQSA-N

Synonyms

2-octaprenyl-6-hydroxyphenol

Databases

MetaCyc: 2-OCTAPRENYL-6-HYDROXYPHENOL

BiGG: 2ohph

ChemSpider: 4444382

ChEBI: 1233

PubChem (CID): 5280833

KEGG: C05811

RefMet: 2-Octaprenyl-6-hydroxyphenol

Seed: cpd03445

MetaNetX: MNXM1635