(Q104938707)

English

[(3aR,4S,6aR,8S,9aR,9bR)-8-acetyloxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(8-acetyloxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 2-(acetyloxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

444.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₈O₈

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)COC(=O)C)C=C(C)C3CC(OC(=O)C)C(=C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(=C\C)COC(C)=O)C=C(C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@@H]12

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found in taxon

Gutenbergia cordifolia var. marginata

1 reference

stated in

Further guaianolides and 5-alkylcoumarins from gutenbergia and bothriocline species

Identifiers

InChI

InChI=1S/C24H28O8/c1-7-16(10-29-14(5)25)24(28)31-19-8-11(2)17-9-18(30-15(6)26)12(3)20(17)22-21(19)13(4)23(27)32-22/h7-8,17-22H,3-4,9-10H2,1-2,5-6H3/b16-7-/t17-,18-,19-,20-,21+,22+/m0/s1

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InChIKey

BNBOLBVFHQXKBS-LGCYGKLHSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104938707)

[(3aR,4S,6aR,8S,9aR,9bR)-8-acetyloxy-6-methyl-3,9-dimethylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-(acetyloxymethyl)but-2-enoate

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