(Q105205319)

English

[(2S,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-methylpropanoyloxy)butyl] 2-methylpropanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[2,3-Bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-methylpropanoyloxy)butyl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

502.256668176 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₈O₈

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canonical SMILES

O=C(OCC(CC1=CC=C(O)C(OC)=C1)C(COC(=O)C(C)C)CC2=CC=C(O)C(OC)=C2)C(C)C

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isomeric SMILES

COc1cc(C[C@H](COC(=O)C(C)C)[C@H](COC(=O)C(C)C)Cc2ccc(O)c(OC)c2)ccc1O

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found in taxon

Geigeria burkei

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Geigeria burkei var. burkei

1 reference

stated in

New sesquiterpene lactones, geranyllinalol derivatives and other constituents from Geigeria species

Identifiers

InChI

InChI=1S/C28H38O8/c1-17(2)27(31)35-15-21(11-19-7-9-23(29)25(13-19)33-5)22(16-36-28(32)18(3)4)12-20-8-10-24(30)26(14-20)34-6/h7-10,13-14,17-18,21-22,29-30H,11-12,15-16H2,1-6H3/t21-,22+

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InChIKey

PBOGGKXMJHLCSV-SZPZYZBQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBOGGKXMJHLCSV-SZPZYZBQSA-N

(Q105205319)

[(2S,3R)-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-methylpropanoyloxy)butyl] 2-methylpropanoate

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