(Q104908653)

English

(8-hydroxy-2',5,8a,11'-tetramethyl-7'-methylidene-2,6'-dioxospiro[5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-3,13'-5-oxatetracyclo[10.2.1.01,10.04,8]pentadec-10-ene]-15'-yl) acetate

group of stereoisomers with the chemical formula C₃₂H₄₀O₇

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

536.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₇

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canonical SMILES

O=C1OC2CC(C)C34C(=C(C)C(C3OC(=O)C)C5(C(=O)OC6CC7(C(=CC65)C(C)CCC7O)C)C4)CC2C1=C

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found in taxon

Inula japonica

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stated in

Japonicones A-D, bioactive dimeric sesquiterpenes from Inula japonica Thunb.

Identifiers

InChI

InChI=1S/C32H40O7/c1-14-7-8-25(34)30(6)12-24-22(11-20(14)30)32(29(36)39-24)13-31-15(2)9-23-19(16(3)28(35)38-23)10-21(31)17(4)26(32)27(31)37-18(5)33/h11,14-15,19,22-27,34H,3,7-10,12-13H2,1-2,4-6H3

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InChIKey

ABKBNZZEJVKKNL-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104908653)

(8-hydroxy-2',5,8a,11'-tetramethyl-7'-methylidene-2,6'-dioxospiro[5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-3,13'-5-oxatetracyclo[10.2.1.01,10.04,8]pentadec-10-ene]-15'-yl) acetate

Statements

Identifiers

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