(Q104945664)

English

[(3aS,4S,5S,6S,9S,10E,11aR)-5-acetyloxy-6,9-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-Acetyloxy-6,9-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

436.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aS,4S,5S,6S,9S,10E,11aR)-5-acetyloxy-6,9-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 InChI

chemical formula

C₂₂H₂₈O₉

0 references

canonical SMILES

O=C(OC1C(OC(=O)C)C(O)(C(=O)CC(O)C(=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)[C@@H](O)CC(=O)[C@@](C)(O)[C@@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12

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found in taxon

Trichogonia salviaefolia

1 reference

stated in

Neue Sesquiterpenlactone und Rosan-Derivate ausTrichogonia-Arten

Identifiers

InChI

InChI=1S/C22H28O9/c1-7-10(2)20(26)31-18-17-12(4)21(27)30-15(17)8-11(3)14(24)9-16(25)22(6,28)19(18)29-13(5)23/h7-8,14-15,17-19,24,28H,4,9H2,1-3,5-6H3/b10-7+,11-8+/t14-,15+,17-,18-,19-,22+/m0/s1

0 references

InChIKey

BTJHWHPMYLVAAD-QWLUJNHFSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104945664)

[(3aS,4S,5S,6S,9S,10E,11aR)-5-acetyloxy-6,9-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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