(Q105006071)

English

[(1S,1'R,3aS,4R,4'S,5S,5aS,8'S,8aR,9S,9aS)-4-hydroxy-8'-(2-hydroxypropan-2-yl)-2',5,8a-trimethyl-2,8-dioxospiro[3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-1,5'-bicyclo[2.2.2]oct-2-ene]-9-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4-Hydroxy-8'-(2-hydroxypropan-2-yl)-2',5,8a-trimethyl-2,8-dioxospiro[3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-1,5'-bicyclo[2.2.2]oct-2-ene]-9-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

512.27740362 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,1'R,3aR,4R,4'S,5S,5aS,8'S,8aR,9S,9aR)-4-hydroxy-8'-(2-hydroxypropan-2-yl)-2',5,8a-trimethyl-2,8-dioxospiro[3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-1,5'-bicyclo[2.2.2]oct-2-ene]-9-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

1 reference

C₃₀H₄₀O₇

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canonical SMILES

O=C(OC1C2C(OC(=O)C32CC4C(=CC3C(C4)C(O)(C)C)C)C(O)C(C)C5C=CC(=O)C15C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1[C@H]2[C@H](OC(=O)[C@]23C[C@H]2C[C@H](C(C)(C)O)[C@@H]3C=C2C)[C@H](O)[C@@H](C)[C@@H]2C=CC(=O)[C@]21C

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found in taxon

Gaillardia aestivalis

1 reference

stated in

Isoflavones, a sesquiterpene lactone-monoterpene adduct and other constituents of Gaillardia species

Identifiers

InChI

InChI=1S/C30H40O7/c1-8-14(2)26(33)37-25-22-24(23(32)16(4)18-9-10-21(31)29(18,25)7)36-27(34)30(22)13-17-12-19(28(5,6)35)20(30)11-15(17)3/h8-11,16-20,22-25,32,35H,12-13H2,1-7H3/b14-8-/t16-,17+,18-,19-,20-,22+,23+,24-,25-,29-,30-/m0/s1

0 references

InChIKey

GBSPBHYJLFGEFU-NAJOSWCLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GBSPBHYJLFGEFU-NAJOSWCLSA-N

(Q105006071)

[(1S,1'R,3aS,4R,4'S,5S,5aS,8'S,8aR,9S,9aS)-4-hydroxy-8'-(2-hydroxypropan-2-yl)-2',5,8a-trimethyl-2,8-dioxospiro[3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-1,5'-bicyclo[2.2.2]oct-2-ene]-9-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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