(Q105310106)

English

(1R,2S)-3-[(2S,3S,4R,5S)-4,5-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-oxopropyl]oxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-[4,5-Dihydroxy-2-(2-hydroxy-3-methoxy-3-oxopropyl)oxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

576.147905576 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₈O₁₄

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canonical SMILES

O=C(O)C1C(=CC=2C=C(O)C(O)=CC2C1C3=CC=C(O)C(O)=C3)C(=O)OC4C(O)C(O)COC4CC(O)C(=O)OC

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isomeric SMILES

COC(=O)[C@H](O)C[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1OC(=O)C1=Cc2cc(O)c(O)cc2[C@@H](c2ccc(O)c(O)c2)[C@@H]1C(=O)O

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found in taxon

Bazzania trilobata

1 reference

stated in

Lignans from the liverwort bazzania TRILOBATAfn2fn2Part 121 in the series of Arbeitskreis Chemie und Biologie der Moose. For part 120 see ref. [1].

Identifiers

InChI

InChI=1S/C27H28O14/c1-39-27(38)18(32)8-20-24(23(34)19(33)9-40-20)41-26(37)13-4-11-6-16(30)17(31)7-12(11)21(22(13)25(35)36)10-2-3-14(28)15(29)5-10/h2-7,18-24,28-34H,8-9H2,1H3,(H,35,36)/t18-,19+,20+,21-,22-,23-,24-/m1/s1

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InChIKey

WPPCSTMOGIKOOD-CEMGRNOWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WPPCSTMOGIKOOD-CEMGRNOWSA-N

(Q105310106)

(1R,2S)-3-[(2S,3S,4R,5S)-4,5-dihydroxy-2-[(2R)-2-hydroxy-3-methoxy-3-oxopropyl]oxan-3-yl]oxycarbonyl-1-(3,4-dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2-carboxylic acid

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