(Q104941913)

English

[(1S,2R,3S,4S,5'R,6R,7R)-5'-(furan-3-yl)-3,6,7-trimethyl-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5'-(Furan-3-yl)-3,6,7-trimethyl-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

442.1991533 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,3S,4S,5'R,6R,7R)-5'-(furan-3-yl)-3,6,7-trimethyl-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChIKey

[(1S,2R,3S,4S,5'R,6R,7R)-5'-(furan-3-yl)-3,6,7-trimethyl-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₇

0 references

canonical SMILES

O=C(OC1CC2(C)C3(OC(=O)C2(C)CC3)C4(C(=O)OC(C5=COC=C5)C4)C1C)C(=CC)C

0 references

isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@@]2(C)[C@@]3(CC[C@@]2(C)C(=O)O3)[C@@]2(C[C@H](c3ccoc3)OC2=O)[C@@H]1C

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/C25H30O7/c1-6-14(2)19(26)30-17-11-23(5)22(4)8-9-25(23,32-20(22)27)24(15(17)3)12-18(31-21(24)28)16-7-10-29-13-16/h6-7,10,13,15,17-18H,8-9,11-12H2,1-5H3/b14-6-/t15-,17+,18-,22+,23-,24+,25+/m1/s1

0 references

InChIKey

BPDMFRHJFDLHPQ-NHQXVNMDSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104941913)

[(1S,2R,3S,4S,5'R,6R,7R)-5'-(furan-3-yl)-3,6,7-trimethyl-2',8-dioxospiro[9-oxatricyclo[5.2.2.01,6]undecane-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate

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