3-hydroxyechinenone
Chemical Formula:
C40H54O2
Molecular Weight:
566.865 Daltons
Monoisotopic Mass:
566.4123809776 Daltons
SMILES:
CC(=CC=CC=C(C=CC=C(C=CC1(C(CC(C(C=1C)=O)O)(C)C))C)C)C=CC=C(C)C=CC2(=C(CCCC2(C)C)C)
InChI:
1S/C40H54O2/c1-29(18-13-20-31(3)23-25-35-33(5)22-15-27-39(35,7)8)16-11-12-17-30(2)19-14-21-32(4)24-26-36-34(6)38(42)37(41)28-40(36,9)10/h11-14,16-21,23-26,37,41H,15,22,27-28H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,29-16+,30-17+,31-20+,32-21+/t37-/m0/s1
InChIKey:
Synonyms
- 3-hydroxy-4-keto-β,β-carotene
Databases
MetaCyc:
CPD-7860
ChEBI:
80215
PubChem (CID):
16061232
ChemSpider:
8296099
KEGG:
C15966