(Q105114081)

English

[(3S,4R,6R)-3-hydroxy-2,2,6-trimethyl-6-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]oxan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[3-Hydroxy-2,2,6-trimethyl-6-(4-methylhexa-1,3,5-trienyl)oxan-4-yl] 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

[(3S,4R,6R)-3-hydroxy-2,2,6-trimethyl-6-[(1E,3E)-4-methylhexa-1,3,5-trienyl]oxan-4-yl] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,4R,6S)-3-hydroxy-2,2,6-trimethyl-6-[(1E,3E)-4-methylhexa-1,3,5-trienyl]oxan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(3S,4R,6S)-3-hydroxy-2,2,6-trimethyl-6-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]oxan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₄

0 references

canonical SMILES

O=C(OC1CC(OC(C)(C)C1O)(C=CC=C(C=C)C)C)C(=CC)C

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isomeric SMILES

C=C/C(C)=C\C=C\[C@@]1(C)C[C@@H](OC(=O)/C(C)=C\C)[C@H](O)C(C)(C)O1

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found in taxon

Ageratum fastigiatum

1 reference

stated in

A daucanolide further farnesene derivatives from Ageratum fastigiatum☆

Identifiers

InChI

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

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InChIKey

IJRHIVJLUNPRSS-BTPOKCPHSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IJRHIVJLUNPRSS-BTPOKCPHSA-N

(Q105114081)

[(3S,4R,6R)-3-hydroxy-2,2,6-trimethyl-6-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]oxan-4-yl] (Z)-2-methylbut-2-enoate

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