(Q104996697)

English

(Z)-2-Methyl-2-butenoic acid (4aR)-2,4,4a,5,6,7,8,8abeta,9,9abeta-decahydro-3,4abeta,5beta-trimethyl-2-oxonaphtho[2,3-b]furan-8alpha-yl ester

chemical compound

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instance of

type of chemical entity

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subclass of

(3,4a,5-Trimethyl-2-oxo-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-8-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

332.198759376 dalton

1 reference

1 reference

C₂₀H₂₈O₄

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canonical SMILES

O=C(OC1CCC(C)C2(C)CC3=C(C(=O)OC3CC12)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1CC[C@H](C)[C@@]2(C)CC3=C(C)C(=O)O[C@H]3C[C@@H]12

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found in taxon

Roldana sessilifolia

1 reference

stated in

Eremophilanolides from Roldana sessilifolia

Senecio miser

1 reference

stated in

Defensive chemistry of Senecio miser

Cremanthodium nanum

1 reference

stated in

Eremophilanolides from Roldana sessilifolia

Identifiers

InChI

InChI=1S/C20H28O4/c1-6-11(2)18(21)23-16-8-7-12(3)20(5)10-14-13(4)19(22)24-17(14)9-15(16)20/h6,12,15-17H,7-10H2,1-5H3/b11-6-/t12-,15-,16-,17-,20+/m0/s1

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InChIKey

FKNIRWOLOYSZSG-MZKBQFCGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKNIRWOLOYSZSG-MZKBQFCGSA-N

1 reference

(Q104996697)

(Z)-2-Methyl-2-butenoic acid (4aR)-2,4,4a,5,6,7,8,8abeta,9,9abeta-decahydro-3,4abeta,5beta-trimethyl-2-oxonaphtho[2,3-b]furan-8alpha-yl ester

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Identifiers

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