(Q105291440)

English

2-[(9E,11E,13E,15E,17E)-18-(4-hydroxy-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]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

group of stereoisomers with the chemical formula C₄₂H₅₈O₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

610.438595716 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₈O₃

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canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2OC3(C(=C2)C(C)(C)CC(O)C3)C)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC(C=CC1C=C2C(C)(C)CC(O)CC2(C)O1)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C42H58O3/c1-30(17-13-19-32(3)21-23-37-26-39-41(8,9)28-36(44)29-42(39,10)45-37)15-11-12-16-31(2)18-14-20-33(4)22-24-38-34(5)25-35(43)27-40(38,6)7/h11-24,26,35-37,43-44H,25,27-29H2,1-10H3/b12-11+,17-13?,18-14+,23-21?,24-22+,30-15?,31-16+,32-19?,33-20+

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InChIKey

VQRDXSHBTRAWGW-DQVLQAPBSA-N

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(Q105291440)

2-[(9E,11E,13E,15E,17E)-18-(4-hydroxy-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]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

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