(Q105329274)

English

3-[(1E,3E,5E,7E,9E)-18-(4,5-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one

group of stereoisomers with the chemical formula C₄₀H₅₄O₅

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Statements

instance of

group of stereoisomers

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1 reference

614.397124828 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O₅

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canonical SMILES

O=C1C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CC(O)C(O)C2(C)C)C)C)C)C)C(C)(C)C(O)C1O)C

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isomeric SMILES

CC(C=CC1=C(C)CC(O)C(O)C1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C(=O)C(O)C(O)C1(C)C

1 reference

1 reference

Carotenoids of Rhizobia. IV. Isolation and structure elucidation of the carotenoids of a mutant ofRhizobium lupini

Bradyrhizobium

1 reference

stated in

Carotenoids of Rhizobia. IV. Isolation and structure elucidation of the carotenoids of a mutant ofRhizobium lupini

Identifiers

InChI

InChI=1S/C40H54O5/c1-26(17-13-19-28(3)21-23-32-30(5)25-34(41)37(44)39(32,7)8)15-11-12-16-27(2)18-14-20-29(4)22-24-33-31(6)35(42)36(43)38(45)40(33,9)10/h11-24,34,36-38,41,43-45H,25H2,1-10H3/b12-11+,17-13?,18-14+,23-21?,24-22+,26-15?,27-16+,28-19?,29-20+

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InChIKey

XJWXMPXLYUAWJI-BXEDYAIBSA-N

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(Q105329274)

3-[(1E,3E,5E,7E,9E)-18-(4,5-dihydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-5,6-dihydroxy-2,4,4-trimethylcyclohex-2-en-1-one

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Identifiers

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