2-demethylmenaquinone-8

Chemical Formula:

C₅₀H₇₀O₂

Molecular Weight:

703.102 Daltons

Monoisotopic Mass:

702.5375814912 Daltons

SMILES:

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=CC(=O)C2(C=CC=CC(C(=O)1)=2))

InChI:

1S/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25,27,29,31,33-35,37H,12-18,20,22,24,26,28,30,32,36H2,1-9H3/b39-21+,40-23+,41-25+,42-27+,43-29+,44-31+,45-35+

InChIKey:

GDUBPWSFXUAETN-AENDIINCSA-N

Synonyms

demethylmenaquinone 8

Databases

MetaCyc: DEMETHYLMENAQUINONE

BiGG: 2dmmq8

ChemSpider: 4525368

PubChem (CID): 5376004

ChEBI: 48455

KEGG: C05818

Seed: cpd15352

MetaNetX: MNXM2178