(Q104936673)

English

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

group of stereoisomers with the chemical formula C₄₀H₅₆O₂

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instance of

group of stereoisomers

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568.428031032 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₂

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canonical SMILES

OC1C=C(C)C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2C(=CC(O)CC2(C)C)C)C)C)C)C)C(C)(C)C1

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isomeric SMILES

CC(C=CC1C(C)=CC(O)CC1(C)C)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1C(C)=CC(O)CC1(C)C

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based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14?,23-21+,24-22?,29-15+,30-16?,31-19+,32-20?

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InChIKey

BIPAHAFBQLWRMC-LOFNIBRQSA-N

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26 December 2021

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(Q104936673)

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

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