(Q105263969)

English

6-[(17E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

group of stereoisomers with the chemical formula C₄₀H₅₆O₄

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instance of

group of stereoisomers

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600.417860272 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₄

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canonical SMILES

OC1CC2(OC2(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC34OC4(C)CC(O)CC3(C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC(C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)=CC=CC=C(C)C=CC=C(C)/C=C/C12OC1(C)CC(O)CC2(C)C

1 reference

1 reference

Naturally occurring di-cis-violaxanthins from viola tricolor: Isolation and identification by 1H NMR spectroscopy of four di-cis-isomers

Identifiers

InChI

InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11?,17-13?,18-14?,23-21+,24-22?,29-15?,30-16?,31-19?,32-20?

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InChIKey

SZCBXWMUOPQSOX-QMVQZEOJSA-N

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(Q105263969)

6-[(17E)-18-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol

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