(Q105191623)

English

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

group of stereoisomers with the chemical formula C₄₀H₅₄O₃

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group of stereoisomers

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582.407295588 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₄O₃

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canonical SMILES

OC1CC(=C(C#CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC23OC3(C)CC(O)CC2(C)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC(C=CC12OC1(C)CC(O)CC2(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC1=C(C)CC(O)CC1(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H54O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-20,23-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14?,24-23?,29-15+,30-16?,31-19+,32-20?

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InChIKey

OGHZCSINIMWCSB-WEWHBREISA-N

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(Q105191623)

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

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