(Q105385797)

English

[(3aR,4S,5S,6R,6aR,7R,9aS,9bS)-5,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(5,7,9a-Trihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

392.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₈

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canonical SMILES

O=C(OC1C(O)C2(OC2)C3C(O)C=C(C)C3(O)C4OC(=O)C(=C)C14)C(=CC)C

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@]21O

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found in taxon

Bejaranoa balansae

1 reference

stated in

Balansolide and other sesquiterpene lactones from Bejaranoa balansae

Identifiers

InChI

InChI=1S/C20H24O8/c1-5-8(2)17(23)27-13-12-10(4)18(24)28-16(12)20(25)9(3)6-11(21)14(20)19(7-26-19)15(13)22/h5-6,11-16,21-22,25H,4,7H2,1-3H3/b8-5+/t11-,12-,13+,14+,15+,16+,19+,20-/m1/s1

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InChIKey

ZXURBAXINWSRQC-ZMAYPZKESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZXURBAXINWSRQC-ZMAYPZKESA-N

(Q105385797)

[(3aR,4S,5S,6R,6aR,7R,9aS,9bS)-5,7,9a-trihydroxy-9-methyl-3-methylidene-2-oxospiro[3a,4,5,6a,7,9b-hexahydroazuleno[4,5-b]furan-6,2'-oxirane]-4-yl] (E)-2-methylbut-2-enoate

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