(Q105153380)

English

[(3S,3aR,4S,6S,6aR,7S,9aS,9bS)-3,6-diacetyloxy-7-hydroxy-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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Statements

instance of

type of chemical entity

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subclass of

(3,6-diacetyloxy-7-hydroxy-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

464.204632604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₉

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canonical SMILES

O=C(OC1CC(OC(=O)C)(C)C2C(O)C=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]2[C@@H](O)C=C(C)[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/C24H32O9/c1-8-11(2)21(28)30-16-10-23(6,32-13(4)25)18-15(27)9-12(3)17(18)20-19(16)24(7,22(29)31-20)33-14(5)26/h8-9,15-20,27H,10H2,1-7H3/b11-8+/t15-,16-,17+,18-,19+,20-,23-,24-/m0/s1

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InChIKey

LKZYCDXHJKTMOP-JEZQTYCXSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105153380)

[(3S,3aR,4S,6S,6aR,7S,9aS,9bS)-3,6-diacetyloxy-7-hydroxy-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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