(Q105287762)

English

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1s,4s)-4-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropyl)-3,5-dioxocyclohexyl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,4,5-Trihydroxy-6-[4-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropyl)-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

570.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Gallomyrtucommulone B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₈O₁₃

0 references

canonical SMILES

O=C(OCC1OC(OC2C(C(=O)C(O)(C(=O)C2(C)C)CC(C)C)(C)C)C(O)C(O)C1O)C3=CC(O)=C(O)C(O)=C3

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isomeric SMILES

CC(C)C[C@]1(O)C(=O)C(C)(C)[C@@H](O[C@@H]2O[C@H](COC(=O)c3cc(O)c(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C1=O

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found in taxon

Myrtus communis L.

1 reference

stated in

Antibacterial galloylated alkylphloroglucinol glucosides from myrtle (Myrtus communis).

Identifiers

InChI

InChI=1S/C27H38O13/c1-11(2)9-27(37)22(35)25(3,4)24(26(5,6)23(27)36)40-21-19(33)18(32)17(31)15(39-21)10-38-20(34)12-7-13(28)16(30)14(29)8-12/h7-8,11,15,17-19,21,24,28-33,37H,9-10H2,1-6H3/t15-,17-,18+,19-,21+,24-,27+/m1/s1

0 references

InChIKey

VKHZSJBPCYWANI-IEPMMTNTSA-N

0 references

(Q105287762)

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1s,4s)-4-hydroxy-2,2,6,6-tetramethyl-4-(2-methylpropyl)-3,5-dioxocyclohexyl]oxy}oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Statements

Identifiers

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