(Q105286919)

English

1-[(9E,11E,13E,15E,17E)-18-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol

group of stereoisomers with the chemical formula C₄₀H₅₈O₅

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instance of

group of stereoisomers

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1 reference

618.428424956 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₈O₅

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canonical SMILES

OC1CC(O)(C)C(O)(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC23OC(CC2(O)C)CC3(C)C)C)C)C)C)C(C)(C)C1

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isomeric SMILES

CC(C=CC1(O)C(C)(C)CC(O)CC1(C)O)=CC=CC(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C12OC(CC1(C)C)CC2(C)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C40H58O5/c1-29(17-13-19-31(3)21-23-39(44)35(5,6)25-33(41)26-37(39,9)42)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)27-34(45-40)28-38(40,10)43/h11-24,33-34,41-44H,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

VIOJJXRZEGPFSJ-XQIHNALSSA-N

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(Q105286919)

1-[(9E,11E,13E,15E,17E)-18-{2-hydroxy-2,6,6-trimethyl-7-oxabicyclo[2.2.1]heptan-1-yl}-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-2,6,6-trimethylcyclohexane-1,2,4-triol

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