(Q105158907)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

418.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₆O₈

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CC)COC(=O)C)C(O)C(=C)C3C(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@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@H]21

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found in taxon

Lasiolaena morii

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stated in

Guaianolides and homoditerpenes from Lasiolaena morii

Stylotrichium rotundifolium

1 reference

stated in

Six guaianolides from Stylotrichium rotundifolium

Identifiers

InChI

InChI=1S/C22H26O8/c1-6-13(8-28-12(5)23)22(27)30-20-17-11(4)21(26)29-19(17)15-9(2)7-14(24)16(15)10(3)18(20)25/h6-7,14-20,24-25H,3-4,8H2,1-2,5H3/b13-6+/t14-,15+,16-,17+,18-,19-,20+/m1/s1

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InChIKey

LXKUVYQBYVNGFE-AAJRMILJSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105158907)

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

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Identifiers

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