3,4-didehydrorhodopin

Chemical Formula:

C₄₀H₅₆O

Molecular Weight:

552.882 Daltons

Monoisotopic Mass:

552.4331164197 Daltons

SMILES:

CC(C)=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)C)C)C)C

InChI:

1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-21,23-31,41H,13,22,32H2,1-10H3/b12-11+,23-14+,24-15+,28-16+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+

InChIKey:

YNXUITAACINYQG-VWQKURAKSA-N

Synonyms

3,4-dehydrorhodopin
1-hydroxy-3,4-didehydrolycopene

Databases

MetaCyc: CPD-12611

MetaboLights: MTBLC62481

ChemSpider: 17220920

ChEBI: 62481

KEGG: C15874

PubChem (CID): 16061249

Seed: cpd14605

MetaNetX: MNXM3123