(Q104946820)

English

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

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 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

446.230453428 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₇

0 references

canonical SMILES

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

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isomeric SMILES

CC[C@@H](C)C(=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

0 references

found in taxon

Microglossa pyrrhopappa

2 references

stated in

Rearranged clerodanes and other diterpenes fromMicroglossa pyrrhopappa

stated in

Diterpenes and sesquiterpene xylosides from east africanConyza species

Identifiers

InChI

InChI=1S/C25H34O7/c1-6-14(2)22(27)31-21(24(4)19(26)7-8-20-25(24,5)32-20)11-15(3)17-12-18(30-23(17)28)16-9-10-29-13-16/h9-10,13-15,17-18,20-21H,6-8,11-12H2,1-5H3/t14-,15-,17+,18-,20-,21-,24-,25-/m1/s1

0 references

InChIKey

BVRLIAHAPALMLE-VQKFQMBVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BVRLIAHAPALMLE-VQKFQMBVSA-N

(Q104946820)

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

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Identifiers

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