(Q105183348)

English

[(1S,2S,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

366.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₆

0 references

canonical SMILES

O=C(OC1CCC2(C)CC(=O)C(=CC2C1(O)C)C(OO)(C)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Pluchea sagittalis

1 reference

stated in

Eudesmane derivatives from Pluchea quitoc

Neurolaena lobata

1 reference

stated in

Cuauthemone derivatives from Tessaria integrifolia and Pluchea symphytifolia

Identifiers

InChI

InChI=1S/C20H30O6/c1-7-12(2)17(22)25-16-8-9-19(5)11-14(21)13(18(3,4)26-24)10-15(19)20(16,6)23/h7,10,15-16,23-24H,8-9,11H2,1-6H3/b12-7-/t15-,16+,19-,20+/m1/s1

0 references

InChIKey

NPRJCRQECPZJIM-IFHJUMTCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPRJCRQECPZJIM-IFHJUMTCSA-N

(Q105183348)

[(1S,2S,4aR,8aR)-7-(2-hydroperoxypropan-2-yl)-1-hydroxy-1,4a-dimethyl-6-oxo-3,4,5,8a-tetrahydro-2H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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