(Q104946719)

English

[(1R,3R)-1-[(1S,2R,6R)-1,2-dimethyl-3-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]-3-[(3R,5R)-5-(furan-3-yl)-2-oxooxolan-3-yl]butyl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1-(1,2-Dimethyl-3-oxo-7-oxabicyclo[4.1.0]heptan-2-yl)-3-[5-(furan-3-yl)-2-oxooxolan-3-yl]butyl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

444.214803364 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₂O₇

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canonical SMILES

O=C(OC(CC(C)C1C(=O)OC(C2=COC=C2)C1)C3(C(=O)CCC4OC43C)C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)O[C@H](C[C@@H](C)[C@H]1C[C@H](c2ccoc2)OC1=O)[C@@]1(C)C(=O)CC[C@H]2O[C@]21C

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found in taxon

Microglossa pyrrhopappa

1 reference

stated in

Rearranged clerodanes and other diterpenes fromMicroglossa pyrrhopappa

Identifiers

InChI

InChI=1S/C25H32O7/c1-14(2)10-22(27)31-21(24(4)19(26)6-7-20-25(24,5)32-20)11-15(3)17-12-18(30-23(17)28)16-8-9-29-13-16/h8-10,13,15,17-18,20-21H,6-7,11-12H2,1-5H3/t15-,17-,18-,20-,21-,24-,25-/m1/s1

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InChIKey

BVNWRFAZMJIZPL-FDPYAZBPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVNWRFAZMJIZPL-FDPYAZBPSA-N

(Q104946719)

[(1R,3R)-1-[(1S,2R,6R)-1,2-dimethyl-3-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]-3-[(3R,5R)-5-(furan-3-yl)-2-oxooxolan-3-yl]butyl] 3-methylbut-2-enoate

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Identifiers

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