(Q105288159)

English

[(1S,2S,4R,8S,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

germacrane sesquiterpenoid

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mass

352.188588616 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4R,8S,9S,11S)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

2 references

based on heuristic

inferred from InChIKey

1 reference

C₁₉H₂₈O₆

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canonical SMILES

O=C1OC2CC(C)C3(O)OC(C)(CC3)CC(OC(=O)C(C)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3(O)CC[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3

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found in taxon

Heliomeris longifolia

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stated in

Sesquiterpene lactones of three Heliomeris species (heliantheae; asteraceae)

Heliomeris longifolia var. annua

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stated in

Sesquiterpene lactones of three Heliomeris species (heliantheae; asteraceae)

Tithonia diversifolia

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stated in

Sesquiterpenoids from Tithonia diversifolia with potential cancer chemopreventive activity

Identifiers

InChI

InChI=1S/C19H28O6/c1-10(2)16(20)24-14-9-18(5)6-7-19(22,25-18)11(3)8-13-15(14)12(4)17(21)23-13/h10-11,13-15,22H,4,6-9H2,1-3,5H3/t11-,13+,14+,15-,18+,19-/m0/s1

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InChIKey

VKWNXJLVNFOOOS-XLRWHONJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VKWNXJLVNFOOOS-XLRWHONJSA-N

1 reference

(Q105288159)

[(1S,2S,4R,8S,9R,11R)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

Statements

Identifiers

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