(Q105213853)

English

[(1R,2R,4aS,5R,7R,8aR)-1,8a-dimethyl-5-(3-methylbut-2-enoyloxy)-6-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,5,7,8-octahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

4a,5-dimethyl-6-[(2-methylbut-2-enoyl)oxy]-2-oxo-3-(prop-1-en-2-yl)-octahydronaphthalen-1-yl 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

416.256274252 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4aS,5R,7R,8aR)-1,8a-dimethyl-5-(3-methylbut-2-enoyloxy)-6-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,5,7,8-octahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

[(1R,2R,4aR,5S,7S,8aR)-1,8a-dimethyl-5-(3-methylbut-2-enoyloxy)-6-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,5,7,8-octahydronaphthalen-2-yl] (E)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₅

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canonical SMILES

O=C(OC1C(=O)C(C(=C)C)CC2(C)C(C)C(OC(=O)C(=CC)C)CCC12)C=C(C)C

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isomeric SMILES

C=C(C)[C@H]1C[C@@]2(C)[C@H](CC[C@@H](OC(=O)/C(C)=C\C)[C@@H]2C)[C@@H](OC(=O)C=C(C)C)C1=O

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found in taxon

Senecio provincialis

1 reference

stated in

Neue eremophilene aus südafrikanischen Senecio-arten

Identifiers

InChI

InChI=1S/C25H36O5/c1-9-16(6)24(28)29-20-11-10-19-23(30-21(26)12-14(2)3)22(27)18(15(4)5)13-25(19,8)17(20)7/h9,12,17-20,23H,4,10-11,13H2,1-3,5-8H3/b16-9-/t17-,18+,19+,20+,23+,25+/m0/s1

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InChIKey

PRPHOIJGTAGZKE-QUJQLBJQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PRPHOIJGTAGZKE-QUJQLBJQSA-N

1 reference

(Q105213853)

[(1R,2R,4aS,5R,7R,8aR)-1,8a-dimethyl-5-(3-methylbut-2-enoyloxy)-6-oxo-7-prop-1-en-2-yl-1,2,3,4,4a,5,7,8-octahydronaphthalen-2-yl] (Z)-2-methylbut-2-enoate

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