(Q105007610)

English

[(3aR,4S,5S,6R,10E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(5,6-Dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5S,6S,10E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4S,5S,6S,10E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

[(3aS,4S,5S,6R,10E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C(OC1C(O)C(O)(C(=O)CCC(=CC2OC(=O)C(=C)C21)C)C)C(=CC)C

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isomeric SMILES

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

0 references

found in taxon

Trichogoniopsis adenantha

1 reference

stated in

Two sesquiterpene lactones from Trichogonia gardneri

Trichogonia prancii

1 reference

stated in

Neue Sesquiterpenlactone und Rosan-Derivate ausTrichogonia-Arten

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-11(3)18(23)27-16-15-12(4)19(24)26-13(15)9-10(2)7-8-14(21)20(5,25)17(16)22/h6,9,13,15-17,22,25H,4,7-8H2,1-3,5H3/b10-9+,11-6+/t13-,15-,16+,17+,20+/m1/s1

0 references

InChIKey

GFLCSJVZMZMJCB-IVMHRVQASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GFLCSJVZMZMJCB-IVMHRVQASA-N

(Q105007610)

[(3aR,4S,5S,6R,10E,11aR)-5,6-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate

Statements

Identifiers

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