(Q105119555)

English

[(3aS,4S,5S,6S,7R,10Z,11aR)-5,6-dihydroxy-6,7,10-trimethyl-3-methylidene-2,9-dioxo-4,5,7,11a-tetrahydro-3aH-furo[2,3-e]oxecin-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5,6-dihydroxy-6,7,10-trimethyl-3-methylidene-2,9-dioxo-4,5,7,11a-tetrahydro-3aH-furo[2,3-e]oxecin-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

394.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₈

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canonical SMILES

O=C1OC(C)C(O)(C)C(O)C(OC(=O)C(=CC)C)C2C(=C)C(=O)OC2C=C1C

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isomeric SMILES

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

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found in taxon

Trichogonia villosa

1 reference

stated in

Neue Sesquiterpenlactone und Rosan-Derivate ausTrichogonia-Arten

Identifiers

InChI

InChI=1S/C20H26O8/c1-7-9(2)17(22)28-15-14-11(4)19(24)27-13(14)8-10(3)18(23)26-12(5)20(6,25)16(15)21/h7-8,12-16,21,25H,4H2,1-3,5-6H3/b9-7-,10-8-/t12-,13-,14+,15+,16+,20-/m1/s1

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InChIKey

ISIOGBQKYACMTR-QIFMYIMYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ISIOGBQKYACMTR-QIFMYIMYSA-N

(Q105119555)

[(3aS,4S,5S,6S,7R,10Z,11aR)-5,6-dihydroxy-6,7,10-trimethyl-3-methylidene-2,9-dioxo-4,5,7,11a-tetrahydro-3aH-furo[2,3-e]oxecin-4-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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