EQ3

(3'R)-3'-hydroxy-beta,beta-caroten-4-one


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Chemical Component Summary

Name(3'R)-3'-hydroxy-beta,beta-caroten-4-one
Synonyms3'-Hydroxyechinenone; 3'-OH-Echinenone
Identifiers2,4,4-trimethyl-3-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-2-en-1-one
FormulaC40 H54 O2
Molecular Weight566.856
TypeNON-POLYMER
Isomeric SMILESCC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)C)/C)/C
InChIInChI=1S/C40H54O2/c1-29(17-13-19-31(3)21-23-36-33(5)27-35(41)28-40(36,9)10)15-11-12-16-30(2)18-14-20-32(4)22-24-37-34(6)38(42)25-26-39(37,7)8/h11-24,35,41H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-/m1/s1
InChIKeyZRCXVNZZDQGBQT-BANQPSJHSA-N

Chemical Details

Formal Charge0
Atom Count96
Chiral Atom Count1
Bond Count97
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 16061233
ChEBI CHEBI:80214