(Q105002054)

English

[(3aS,4S,5R,6S,8Z,10R,11aR)-5-[(E)-but-2-enoyl]oxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-But-2-enoyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl) but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

432.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₈O₈

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Calea urticifolia

1 reference

stated in

Sesquiterpene lactones of Calea zacatechichi and C. urticifolia

Identifiers

InChI

InChI=1S/C23H28O8/c1-6-8-17(25)30-20-19-14(4)22(27)29-15(19)12-13(3)10-11-16(24)23(5,28)21(20)31-18(26)9-7-2/h6-11,13,15,19-21,28H,4,12H2,1-3,5H3/b8-6+,9-7+,11-10-/t13-,15+,19-,20-,21+,23+/m0/s1

0 references

InChIKey

FUUOEHIVTNGEJJ-FOHKJMSUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FUUOEHIVTNGEJJ-FOHKJMSUSA-N

(Q105002054)

[(3aS,4S,5R,6S,8Z,10R,11aR)-5-[(E)-but-2-enoyl]oxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-but-2-enoate

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Identifiers

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