(Q105276593)

English

[(2R,4aS,7R,8aS)-8a-hydroperoxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[8a-hydroperoxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,4aS,7R,8aS)-8a-hydroperoxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₀O₆

0 references

canonical SMILES

O=C(OC)C(=C)C1CCC2(C)CCC(OC(=O)C(=CC)C)C(=C)C2(OO)C1

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isomeric SMILES

C=C(C(=O)OC)[C@@H]1CC[C@@]2(C)CC[C@@H](OC(=O)/C(C)=C\C)C(=C)[C@]2(OO)C1

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found in taxon

Eriocephalus pauperrimus

1 reference

stated in

Sesquiterpene lactones and other constituents from Eriocephalus species

Identifiers

InChI

InChI=1S/C21H30O6/c1-7-13(2)18(22)26-17-9-11-20(5)10-8-16(14(3)19(23)25-6)12-21(20,27-24)15(17)4/h7,16-17,24H,3-4,8-12H2,1-2,5-6H3/b13-7-/t16-,17-,20+,21-/m1/s1

0 references

InChIKey

UOVOQTMUTPAZMZ-XBLFPHNRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UOVOQTMUTPAZMZ-XBLFPHNRSA-N

(Q105276593)

[(2R,4aS,7R,8aS)-8a-hydroperoxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

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