bacterioruberin
Chemical Formula:
C50H76O4
Molecular Weight:
741.148 Daltons
Monoisotopic Mass:
740.574360928 Daltons
SMILES:
CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CCC(C)(C)O)C=CC=C(C)C=CC=C(C)C=CC(C(C)(C)O)CCC(C)(C)O
InChI:
1S/C50H76O4/c1-39(23-17-25-41(3)27-19-29-43(5)31-33-45(49(11,12)53)35-37-47(7,8)51)21-15-16-22-40(2)24-18-26-42(4)28-20-30-44(6)32-34-46(50(13,14)54)36-38-48(9,10)52/h15-34,45-46,51-54H,35-38H2,1-14H3/b16-15+,23-17+,24-18+,27-19+,28-20+,33-31+,34-32+,39-21+,40-22+,41-25+,42-26+,43-29+,44-30+/t45-,46-/m1/s1
InChIKey:
Synonyms
- (2S,2'S)-2,2'-bis(3-hydroxy-3-methylbutyl)-3,4,3',4'-tetradehydro-1,2,1',2'-tetrahydro-y,y-carotene-1,1'-diol
Databases
MetaCyc:
CPD-18004
ChEBI:
49388
PubChem (CID):
6441558
ChemSpider:
4945706
MetaNetX:
MNXM148097