3-hydroxy-4-ketotorulene

Chemical Formula:

C₄₀H₅₂O₂

Molecular Weight:

564.85 Daltons

Monoisotopic Mass:

564.3967309134 Daltons

SMILES:

CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C)C)C)C

InChI:

1S/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13-,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+

InChIKey:

JQSLJBXSPJMQQS-AYQHOUQYSA-N

Synonyms

HDCO
3-hydroxy-3'-4'-didehydro-β,ψ-caroten-4-one

Databases

MetaCyc: CPD-7951

ChemSpider: 8319951

PubChem (CID): 10144442

Seed: cpd24988

MetaNetX: MNXM14562