(Q105314474)

English

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

448.209717984 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3R,3aR,4R,6R,6aS,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3S,3aR,4S,6S,6aS,9aS,9bR)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₄H₃₂O₈

0 references

canonical SMILES

O=C(OC1CC(OC(=O)C)(C)C2CC=C(C)C2C3OC(=O)C(OC(=O)C)(C)C13)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12

0 references

found in taxon

Laserpitium siler

1 reference

stated in

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

Siler montanum

1 reference

stated in

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

Identifiers

InChI

InChI=1S/C24H32O8/c1-8-12(2)21(27)29-17-11-23(6,31-14(4)25)16-10-9-13(3)18(16)20-19(17)24(7,22(28)30-20)32-15(5)26/h8-9,16-20H,10-11H2,1-7H3/b12-8+/t16-,17-,18+,19+,20-,23-,24-/m0/s1

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InChIKey

WXAJADWYCXGFFJ-RVKQQOPXSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105314474)

[(3S,3aR,4S,6S,6aS,9aS,9bS)-3,6-diacetyloxy-3,6,9-trimethyl-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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