(Q82873418)

English

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)-

chemical compound

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Statements

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

(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

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

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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@@H]2CC[C@@]3([C@@H](CC=C([C@H]3[C@@H]2OC1=O)C)OC(=O)C)C)C

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found in taxon

Siler montanum

3 references

stated in

Sesquiterpene lactones from Laserpitium garganicum

stated in

Components of the extract from the underground parts of Laserpitium siler L. of slovenian origin, mainly sesquiterpenic lactones

stated in

Stereochemistry of a novel sesquiterpene lactone of eudesmane type. X-Ray determination of the structure of isosilerolide

Laserpitium siler

3 references

stated in

Stereochemistry of a novel sesquiterpene lactone of eudesmane type. X-Ray determination of the structure of isosilerolide

stated in

Components of the extract from the underground parts of Laserpitium siler L. of slovenian origin, mainly sesquiterpenic lactones

stated in

Sesquiterpene lactones from Laserpitium garganicum

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-DZKNJIKXSA-N

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0 references

1 reference

matched by identifier from

InChIKey

TURJFYBHQNTMCA-DZKNJIKXSA-N

1 reference

1 reference

matched by identifier from

InChIKey

TURJFYBHQNTMCA-DZKNJIKXSA-N

DSSTOX compound identifier

DTXCID301332407

0 references

(Q82873418)

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)-

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