(Q105006727)

English

[(3aR,4S,5aR,9aS,9bR)-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5a-Methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

290.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₄

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C)CC3(C)CCCC(=C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C[C@@]1(C)CCCC(=C)[C@H]21

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found in taxon

Perymenium mendezii

1 reference

stated in

A melampolide and an eudesmanolide from Perymenium mendezii

Identifiers

InChI

InChI=1S/C17H22O4/c1-9-6-5-7-17(4)8-12(20-11(3)18)13-10(2)16(19)21-15(13)14(9)17/h12-15H,1-2,5-8H2,3-4H3/t12-,13+,14+,15-,17+/m0/s1

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InChIKey

GDHYRFNXORDSAX-SOXILONMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GDHYRFNXORDSAX-SOXILONMSA-N

(Q105006727)

[(3aR,4S,5aR,9aS,9bR)-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate

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Identifiers

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