(Q105385109)

English

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,6R,7Z,11Z,13S)-13-methoxy-3-methylidene-4-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-8-yl]methoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(3,4,5-trihydroxy-6-{[(1S,2R,6R,7Z,11E)-13-methoxy-3-methylidene-4-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-8-yl]methoxy}oxan-2-yl)methyl 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

[3,4,5-Trihydroxy-6-[(13-methoxy-3-methylidene-4-oxo-5,14-dioxatricyclo[10.2.1.02,6]pentadeca-7,11-dien-8-yl)methoxy]oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

(3,4,5-trihydroxy-6-{[(11Z)-13-methoxy-3-methylidene-4-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-8-yl]methoxy}oxan-2-yl)methyl 2-(4-hydroxyphenyl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

588.220676592 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,6R,7Z,11E,13S)-13-methoxy-3-methylidene-4-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-8-yl]methoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₃₆O₁₂

0 references

canonical SMILES

O=C1OC2C=C(COC3OC(COC(=O)CC4=CC=C(O)C=C4)C(O)C(O)C3O)CCC=C5CC(OC5OC)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\CO[C@@H]3O[C@H](COC(=O)Cc4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)CC/C=C3/C[C@H](O[C@@H]3OC)[C@@H]12

0 references

found in taxon

Sonchus asper

1 reference

stated in

Sesquiterpene lactone glucosides from Sonchus asper

Sonchus oleraceus

1 reference

stated in

Sesquiterpene lactone glucosides from Sonchus asper

Identifiers

InChI

InChI=1S/C30H36O12/c1-15-24-20(40-28(15)36)10-17(4-3-5-18-12-21(24)41-29(18)37-2)13-39-30-27(35)26(34)25(33)22(42-30)14-38-23(32)11-16-6-8-19(31)9-7-16/h5-10,20-22,24-27,29-31,33-35H,1,3-4,11-14H2,2H3/b17-10-,18-5-/t20-,21+,22-,24+,25-,26+,27-,29+,30-/m1/s1

(Q105385109)

[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2R,6R,7Z,11Z,13S)-13-methoxy-3-methylidene-4-oxo-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-7,11-dien-8-yl]methoxy}oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

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