(Q105208785)

English

6-[(3E,5E,7E,9E)-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-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol

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

OC1CC(O)(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=C=C1C(C)(C)CC(O)CC1(C)O

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based on heuristic

inferred from InChI

Identifiers

InChI

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

PGYAYSRVSAJXTE-WEWHBREISA-N

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(Q105208785)

6-[(3E,5E,7E,9E)-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-ylidene]-1,5,5-trimethylcyclohexane-1,3-diol

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