(Q105264966)

English

(Z)-2-Methyl-2-butenoic acid (2-oxo-3,5aalpha,9-trimethyl-6alpha-acetoxy-2,3,3abeta,4,5,5a,6,7,9abeta,9bbeta-decahydronaphtho[1,2-b]furan)-3beta-yl ester

chemical compound

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instance of

type of chemical entity

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subclass of

(6-acetyloxy-3,5a,9-trimethyl-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

1 reference

2-Butenoic acid, 2-methyl-, (3S,3aR,5aS,6R,9aR,9bS)-6-(acetyloxy)-2,3,3a,4,5,5a,6,7,9a,9b-decahydro-3,5a,9-trimethyl-2-oxonaphtho(1,2-b)furan-3-yl ester, (2Z)-

1 reference

based on heuristic

inferred from InChI

[(3S,3aR,5aS,6R,9aR,9bS)-6-acetyloxy-3,5a,9-trimethyl-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-3-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

0 references

canonical SMILES

O=C(OC1(C(=O)OC2C3C(=CCC(OC(=O)C)C3(C)CCC21)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@H]3C(C)=CC[C@@H](OC(C)=O)[C@]3(C)CC[C@H]21

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found in taxon

Daucus decipiens

1 reference

stated in

Sesquiterpenolides from Melanoselinum decipiens

Identifiers

InChI

InChI=1S/C22H30O6/c1-7-12(2)19(24)28-22(6)15-10-11-21(5)16(26-14(4)23)9-8-13(3)17(21)18(15)27-20(22)25/h7-8,15-18H,9-11H2,1-6H3/b12-7-/t15-,16-,17-,18-,21+,22+/m1/s1

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InChIKey

TURJFYBHQNTMCA-HCLFBCSZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TURJFYBHQNTMCA-HCLFBCSZSA-N

1 reference

(Q105264966)

(Z)-2-Methyl-2-butenoic acid (2-oxo-3,5aalpha,9-trimethyl-6alpha-acetoxy-2,3,3abeta,4,5,5a,6,7,9abeta,9bbeta-decahydronaphtho[1,2-b]furan)-3beta-yl ester

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