(Q105004591)

English

[(1S,2S,3S,4R,5S,8R,10S,13S)-5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(5-Hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

364.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

2-Butenoic acid, 2-methyl-, decahydro-6-hydroxy-3,4a,5-trimethyl-2-oxo-3a,9a-epoxynaphtho[2,3-b]furan-4-yl ester, [3R-[3alpha,3aalpha,4beta(Z),4abeta,5beta,6beta,8abeta,9aalpha]]-

1 reference

based on heuristic

inferred from InChI

[(1R,2S,3R,4R,5S,8R,10R,13R)-5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

0 references

canonical SMILES

O=C(OC1C23OC3(OC(=O)C2C)CC4CCC(O)C(C)C14C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1[C@@]2(C)[C@H](CC[C@H](O)[C@@H]2C)C[C@]23OC(=O)[C@@H](C)[C@]12O3

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found in taxon

Petasites japonicus

2 references

stated in

Eremophilane-type sesquiterpenes from fresh rhizomes of Petasites japonicus

stated in

Novel epoxyeremophilanolides, eremopetasitenins A1, A2, B1, and B2, from Petasites japonicus

Identifiers

InChI

InChI=1S/C20H28O6/c1-6-10(2)15(22)24-17-18(5)11(3)14(21)8-7-13(18)9-19-20(17,26-19)12(4)16(23)25-19/h6,11-14,17,21H,7-9H2,1-5H3/b10-6-/t11-,12+,13+,14-,17-,18+,19+,20-/m0/s1

0 references

InChIKey

FYNKIYMILKEXOG-SWSDIWLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYNKIYMILKEXOG-SWSDIWLWSA-N

1 reference

(Q105004591)

[(1S,2S,3S,4R,5S,8R,10S,13S)-5-hydroxy-3,4,13-trimethyl-12-oxo-11,14-dioxatetracyclo[8.3.1.01,10.03,8]tetradecan-2-yl] (Z)-2-methylbut-2-enoate

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