(Q110193937)

English

butyl (1R,3S,4S,5S)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

butyl 3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

410.157682412 dalton

1 reference

1 reference

butyl (1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from InChI

(1R,3R,4S,5R)-Butyl 3-(((E)-3-(3,4-dihydroxyphenyl)acryloyl)oxy)-1,4,5-trihydroxycyclohexanecarboxylate

1 reference

based on heuristic

inferred from InChI

butyl (1S,3R,4R,5R)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexanecarboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₉

0 references

canonical SMILES

O=C(OC1CC(O)(C(=O)OCCCC)CC(O)C1O)C=CC2=CC=C(O)C(O)=C2

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isomeric SMILES

CCCCOC(=O)[C@@]1(O)C[C@H](O)[C@H](O)[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1

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found in taxon

Ajania przewalskii

1 reference

stated in

Unusual sesquiterpene lactones with a new carbon skeleton and new acetylenes from Ajania przewalskii

Identifiers

InChI

InChI=1S/C20H26O9/c1-2-3-8-28-19(26)20(27)10-15(23)18(25)16(11-20)29-17(24)7-5-12-4-6-13(21)14(22)9-12/h4-7,9,15-16,18,21-23,25,27H,2-3,8,10-11H2,1H3/t15-,16-,18-,20+/m0/s1

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InChIKey

VNLREARKISTOAD-ZTTFOMCMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VNLREARKISTOAD-ZTTFOMCMSA-N

(Q110193937)

butyl (1R,3S,4S,5S)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylate

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