(Q104920811)

English

[(1R,3E,5E,7S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-(3,3-Dimethyloxiran-2-yl)-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

334.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3E,5E,7S)-1-[(2R)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,3Z,5E,7R)-1-[(2S)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,3E,5E,7S)-1-[(2R)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₄

0 references

canonical SMILES

O=C(OC(CC(=CC=CC(O)(C=C)C)C)C1OC1(C)C)C(=CC)C

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isomeric SMILES

C=C[C@](C)(O)/C=C/C=C(\C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]1OC1(C)C

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found in taxon

Acritopappus longifolius

1 reference

stated in

Labdane derivatives and a himachalanolide from Acritopappus longifolius

Brickellia diffusa

1 reference

stated in

Labdane and dehydronerolidol derivatives from Brickellia diffusa

Identifiers

InChI

InChI=1S/C20H30O4/c1-8-15(4)18(21)23-16(17-19(5,6)24-17)13-14(3)11-10-12-20(7,22)9-2/h8-12,16-17,22H,2,13H2,1,3-7H3/b12-10+,14-11+,15-8-/t16-,17+,20+/m1/s1

0 references

InChIKey

AXUAMOWYJIVLCI-VWFXSRGKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXUAMOWYJIVLCI-VWFXSRGKSA-N

(Q104920811)

[(1R,3E,5E,7S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-7-hydroxy-3,7-dimethylnona-3,5,8-trienyl] (Z)-2-methylbut-2-enoate

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