(Q105269332)

English

[(3aR,4S,7R,10E,11aR)-7-hydroperoxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(7-hydroperoxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

362.172938552 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₆

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canonical SMILES

O=C1OC2C=C(C)CCC(OO)C(=C)CC(OC(=O)C(=CC)C)C2C1=C

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isomeric SMILES

C=C1C[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1OO

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found in taxon

Tanacetum argenteum

1 reference

stated in

Sesquiterpene lactones from Tanacetum argenteum

Identifiers

InChI

InChI=1S/C20H26O6/c1-6-12(3)19(21)24-17-10-13(4)15(26-23)8-7-11(2)9-16-18(17)14(5)20(22)25-16/h6,9,15-18,23H,4-5,7-8,10H2,1-3H3/b11-9+,12-6-/t15-,16-,17+,18+/m1/s1

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InChIKey

UBJSKQKLIONSSE-SZMOYDELSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UBJSKQKLIONSSE-SZMOYDELSA-N

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