(Q105163805)

English

[(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8a-Hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl) 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₄

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canonical SMILES

O=C(OC1C2=C(OC=C2C)CC3(O)CCCC(C)C13C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@@H]1c2c(C)coc2C[C@@]2(O)CCC[C@H](C)[C@@]12C

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found in taxon

Farfugium japonicum

1 reference

stated in

New Furanoeremophilane Derivatives fromFarfugium japonicumKitamura

Ligularia kanaitzensis

1 reference

stated in

Diversity of Ligularia kanaitzensis in sesquiterpenoid composition and neutral DNA sequences

Othonna filicaulis

1 reference

stated in

Natürlich vorkommende Terpen-Derivate, XLII. Neue Sesquiterpene der GattungOthonna

Othonna obtusiloba

1 reference

stated in

Sesquiterpene derivatives from othonna and related species

Identifiers

InChI

InChI=1S/C20H28O4/c1-12(2)9-16(21)24-18-17-13(3)11-23-15(17)10-20(22)8-6-7-14(4)19(18,20)5/h9,11,14,18,22H,6-8,10H2,1-5H3/t14-,18+,19-,20-/m0/s1

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InChIKey

MHHDTKFGMDYVQU-WBCYEJBOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MHHDTKFGMDYVQU-WBCYEJBOSA-N

(Q105163805)

[(4S,4aS,5S,8aS)-8a-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,9-hexahydrobenzo[f][1]benzofuran-4-yl] 3-methylbut-2-enoate

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Identifiers

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