χ,χ-caroten-18-oate
Chemical Formula:
C40H45O2
Molecular Weight:
557.794 Daltons
Monoisotopic Mass:
558.3497807208 Daltons
SMILES:
CC(=CC=CC=C(C=CC=C(C=CC1(=C(C)C(C)=C(C([O-])=O)C=C1))C)C)C=CC=C(C=CC2(C=CC(C)=C(C)C(C)=2))C
InChI:
1S/C40H46O2/c1-28(16-12-18-30(3)20-23-37-25-22-32(5)33(6)34(37)7)14-10-11-15-29(2)17-13-19-31(4)21-24-38-26-27-39(40(41)42)36(9)35(38)8/h10-27H,1-9H3,(H,41,42)/p-1/b11-10+,16-12+,17-13+,23-20+,24-21+,28-14+,29-15+,30-18+,31-19+
InChIKey:
Synonyms
- χ,χ-caroten-18-oic acid
Databases
MetaCyc:
CPD-11460
PubChem (CID):
44237141
Seed:
cpd22958
MetaNetX:
MNXM13311