(Q105248340)

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-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

group of stereoisomers with the chemical formula C₄₀H₅₆O₄

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instance of

group of stereoisomers

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1 reference

600.4178602719999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₄

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canonical SMILES

OC1(C)CC2OC1(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC34OC(CC3(O)C)CC4(C)C)C)C)C)C)C(C)(C)C2

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isomeric SMILES

CC(C=CC12OC(CC1(C)C)CC2(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/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(43-39)27-37(39,9)41)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(44-40)28-38(40,10)42/h11-24,33-34,41-42H,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

RZEVGLVRLUDYEA-LOFNIBRQSA-N

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(Q105248340)

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-trimethyl-7-oxabicyclo[2.2.1]heptan-2-ol

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