β-citraurin

Chemical Formula:

C₃₀H₄₀O₂

Molecular Weight:

432.645 Daltons

Monoisotopic Mass:

432.3028305282 Daltons

SMILES:

CC(C=CC=C(C=CC1(C(C)(C)CC(CC=1C)O))C)=CC=CC=C(C=CC=C([CH]=O)C)C

InChI:

1S/C30H40O2/c1-23(12-8-9-13-24(2)15-11-17-26(4)22-31)14-10-16-25(3)18-19-29-27(5)20-28(32)21-30(29,6)7/h8-19,22,28,32H,20-21H2,1-7H3/b9-8+,14-10+,15-11+,19-18+,23-12+,24-13+,25-16+,26-17+/t28-/m1/s1

InChIKey:

AVPAEFHIEZLSLZ-QCPGYTKSSA-N

Synonyms

3β-hydroxy-8'-apo-β-carotenal

Databases

MetaCyc: CPD-17216

KEGG: C20894

ChEBI: 53159

PubChem (CID): 9845703

HMDB: HMDB35091

MetaNetX: MNXM6514