(Q105216366)

English

2',3'-Dimethoxy-4'-[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,5'-[(S)-3-hydroxyheptane-1,7-diyl]biphenyl-2-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

672.24180596 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Myricanol 5-O-(6'-O-galloyl)-glucoside

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based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₀O₁₄

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canonical SMILES

O=C(OCC1OC(OC=2C(OC)=C(OC)C3=CC2CCCCC(O)CCC4=CC=C(O)C3=C4)C(O)C(O)C1O)C5=CC(O)=C(O)C(O)=C5

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isomeric SMILES

COc1c2cc(c(O[C@@H]3O[C@H](COC(=O)c4cc(O)c(O)c(O)c4)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCC[C@H](O)CCc1ccc(O)c-2c1

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found in taxon

Myrica rubra

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stated in

Diarylheptanoid sulfates and related compounds from Myrica rubra bark

Morella rubra

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stated in

Diarylheptanoid sulfates and related compounds from Myrica rubra bark

Identifiers

InChI

InChI=1S/C34H40O14/c1-44-31-21-12-17(5-3-4-6-19(35)9-7-16-8-10-22(36)20(21)11-16)30(32(31)45-2)48-34-29(42)28(41)27(40)25(47-34)15-46-33(43)18-13-23(37)26(39)24(38)14-18/h8,10-14,19,25,27-29,34-42H,3-7,9,15H2,1-2H3/t19-,25+,27+,28-,29+,34-/m0/s1

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InChIKey

PXTKHOHAJHGCKB-DXXHMWGISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PXTKHOHAJHGCKB-DXXHMWGISA-N

1 reference

(Q105216366)

2',3'-Dimethoxy-4'-[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyloxy]-5,5'-[(S)-3-hydroxyheptane-1,7-diyl]biphenyl-2-ol

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Identifiers

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