(Q104932851)

English

[(3S,3aR,4S,6S,6aS,9S,9aR,9bS)-3-acetyloxy-6,9-dihydroxy-3,6,9-trimethyl-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3-Acetyloxy-6,9-dihydroxy-3,6,9-trimethyl-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₈

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canonical SMILES

O=C(OC1CC(O)(C)C2C=CC(O)(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)(O)[C@H]2C=C[C@](C)(O)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12

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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/C22H30O8/c1-7-11(2)18(24)28-14-10-21(5,27)13-8-9-20(4,26)15(13)17-16(14)22(6,19(25)29-17)30-12(3)23/h7-9,13-17,26-27H,10H2,1-6H3/b11-7+/t13-,14-,15+,16+,17-,20-,21-,22-/m0/s1

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InChIKey

BEGIAXOZMAVLQV-XPEGUBBTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BEGIAXOZMAVLQV-XPEGUBBTSA-N

(Q104932851)

[(3S,3aR,4S,6S,6aS,9S,9aR,9bS)-3-acetyloxy-6,9-dihydroxy-3,6,9-trimethyl-2-oxo-3a,4,5,6a,9a,9b-hexahydroazuleno[4,5-b]furan-4-yl] (E)-2-methylbut-2-enoate

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Identifiers

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