(Q105257031)

English

[(1R,2R,3R,4R,6R)-4-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[4-[4-(3,3-Dimethyloxiran-2-yl)-3-(2-methylbut-2-enoyloxy)but-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

448.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2S,3R,4R,6S)-4-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,3R,4S,6S)-4-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₇

0 references

canonical SMILES

O=C(OC(C(=C)C1CC2OC2(C)C(OC(=O)C(=CC)C)C1O)CC3OC3(C)C)C(=CC)C

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isomeric SMILES

C=C([C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C)[C@H]1C[C@H]2O[C@@]2(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]1O

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found in taxon

Ligularia cymbulifera

1 reference

stated in

Bisabolane sesquiterpenes from the roots of Ligularia cymbulifera.

Identifiers

InChI

InChI=1S/C25H36O7/c1-9-13(3)22(27)29-17(12-18-24(6,7)31-18)15(5)16-11-19-25(8,32-19)21(20(16)26)30-23(28)14(4)10-2/h9-10,16-21,26H,5,11-12H2,1-4,6-8H3/b13-9-,14-10-/t16-,17+,18-,19-,20-,21-,25-/m1/s1

0 references

InChIKey

SOLKVQDUFSZHNA-FUGUZCJASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SOLKVQDUFSZHNA-FUGUZCJASA-N

(Q105257031)

[(1R,2R,3R,4R,6R)-4-[(3S)-4-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(Z)-2-methylbut-2-enoyl]oxybut-1-en-2-yl]-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]heptan-2-yl] (Z)-2-methylbut-2-enoate

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Identifiers

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