β-carotene 15,15' epoxide
Chemical Formula:
C40H56O
Molecular Weight:
552.882 Daltons
Monoisotopic Mass:
552.4331164197 Daltons
SMILES:
CC(C=CC1(C(C)(C)CCCC=1C))=CC=CC(C)=CC2(OC2C=C(C=CC=C(C=CC3(=C(CCCC(C)(C)3)C))C)C)
InChI:
1S/C40H56O/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37-38(41-37)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+
InChIKey:
Databases
MetaCyc:
CPD-14386
KEGG:
C20331
PubChem (CID):
6449945
ChEBI:
67227