(Q105253959)

English

bis[[(1S,3S,4S)-4-formyl-3-hydroxy-4-[(Z)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethenyl]cyclohexyl]methyl] (2E,3E)-2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedioate

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

1-ethyl-1,4-dimethylcyclohexane monoterpenoids

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1,030.368188244 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

bis[[(1S,3S,4S)-4-formyl-3-hydroxy-4-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethenyl]cyclohexyl]methyl] (2E)-2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedioate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₆₂O₂₃

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canonical SMILES

O=CC1(C=COC2OC(CO)C(O)C(O)C2O)CCC(COC(=O)C(=CC3=CC=C(O)C=C3)C(=CC4=CC=C(O)C(O)=C4)C(=O)OCC5CCC(C=O)(C=COC6OC(CO)C(O)C(O)C6O)C(O)C5)CC1O

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isomeric SMILES

O=C[C@]1(/C=C\O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H](COC(=O)C(=C/c2ccc(O)cc2)/C(=C\c2ccc(O)c(O)c2)C(=O)OC[C@H]2CC[C@](C=O)(/C=C\O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)C2)C[C@@H]1O

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Cananga odorata

1 reference

Lignan dicarboxylates and terpenoids from the flower buds of Cananga odorata and their inhibitory effects on melanogenesis.

Identifiers

InChI=1S/C50H62O23/c51-20-35-39(60)41(62)43(64)47(72-35)68-13-11-49(24-53)9-7-28(18-37(49)58)22-70-45(66)31(15-26-1-4-30(55)5-2-26)32(16-27-3-6-33(56)34(57)17-27)46(67)71-23-29-8-10-50(25-54,38(59)19-29)12-14-69-48-44(65)42(63)40(61)36(21-52)73-48/h1-6,11-17,24-25,28-29,35-44,47-48,51-52,55-65H,7-10,18-23H2/b13-11-,14-12-,31-15+,32-16+/t28-,29-,35+,36+,37-,38-,39+,40+,41-,42-,43+,44+,47+,48+,49+,50+/m0/s1

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SIQDQQORHFTLPF-FHCSODAXSA-N

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2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

SIQDQQORHFTLPF-FHCSODAXSA-N

UniChem compound ID

1 reference

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