(Q105007059)

English

[(3aS,4R,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eudesmane sesquiterpenoid

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mass

334.178023932 dalton

1 reference

1 reference

C₁₉H₂₆O₅

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canonical SMILES

O=C1OC2CC3(C)C(O)CCC(=C)C3C(OC(=O)C(C)C)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@]3(C)[C@H](C(=C)CC[C@H]3O)[C@@H](OC(=O)C(C)C)[C@@H]12

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found in taxon

Calea subcordata

1 reference

stated in

Guaianolides from Calea subcordata

Identifiers

InChI

InChI=1S/C19H26O5/c1-9(2)17(21)24-16-14-11(4)18(22)23-12(14)8-19(5)13(20)7-6-10(3)15(16)19/h9,12-16,20H,3-4,6-8H2,1-2,5H3/t12-,13-,14+,15-,16+,19+/m1/s1

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InChIKey

GEAKLPVKLKYFLZ-TVRAHDOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GEAKLPVKLKYFLZ-TVRAHDOYSA-N

(Q105007059)

[(3aS,4R,4aS,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-2-oxo-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-4-yl] 2-methylpropanoate

Statements

Identifiers

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