(Q105157229)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

404.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₄O₈

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canonical SMILES

O=C(OC1CC(=C)C2C(OC(=O)C)C=C(C)C2C3OC(=O)C(=C)C13)C(O)=CCO

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(O)=C/CO)CC(=C)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@H]21

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C21H24O8/c1-9-7-15(28-21(26)13(24)5-6-22)18-11(3)20(25)29-19(18)17-10(2)8-14(16(9)17)27-12(4)23/h5,8,14-19,22,24H,1,3,6-7H2,2,4H3/b13-5-/t14-,15-,16-,17+,18+,19-/m1/s1

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InChIKey

LTWOMFGDBYVFDQ-RPHARSQRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LTWOMFGDBYVFDQ-RPHARSQRSA-N

(Q105157229)

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

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Identifiers

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