(Q105212375)

English

10-[4,5-dihydroxy-2-methoxy-7-methyl-3-[(E)-3-methylbut-1-enyl]-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-2-[(E)-3-methylbut-1-enyl]-10H-anthracen-9-one

group of stereoisomers with the chemical formula C₄₂H₄₂O₈

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instance of

group of stereoisomers

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1 reference

674.287968304 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₂O₈

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canonical SMILES

O=C1C2=C(O)C=C(C=C2C(C3=CC(OC)=C(C=CC(C)C)C(O)=C13)C4C5=CC(OC)=C(C=CC(C)C)C(O)=C5C(=O)C6=C(O)C=C(C=C64)C)C

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isomeric SMILES

COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1C2C1c2cc(C)cc(O)c2C(=O)c2c1cc(OC)c(/C=C/C(C)C)c2O

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Bioactive Constituents of Anatolian Salvia Species

Identifiers

InChI

InChI=1S/C42H42O8/c1-19(2)9-11-23-31(49-7)17-27-33(25-13-21(5)15-29(43)35(25)41(47)37(27)39(23)45)34-26-14-22(6)16-30(44)36(26)42(48)38-28(34)18-32(50-8)24(40(38)46)12-10-20(3)4/h9-20,33-34,43-46H,1-8H3/b11-9+,12-10+

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InChIKey

POFNOQGDXLTAQC-WGDLNXRISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

POFNOQGDXLTAQC-WGDLNXRISA-N

1 reference

(Q105212375)

10-[4,5-dihydroxy-2-methoxy-7-methyl-3-[(E)-3-methylbut-1-enyl]-10-oxo-9H-anthracen-9-yl]-1,8-dihydroxy-3-methoxy-6-methyl-2-[(E)-3-methylbut-1-enyl]-10H-anthracen-9-one

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