(Q105215013)

English

[(4S,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (2R)-2-methylbutanoate

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

0 references

(3,4a,5-Trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

330.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4R,4aR,5S)-3,4a,5-trimethyl-9-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-4-yl] (2S)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₄

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canonical SMILES

O=C1C=2OC=C(C2C(OC(=O)C(C)CC)C3(C1=CCCC3C)C)C

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isomeric SMILES

CC[C@@H](C)C(=O)O[C@@H]1c2c(C)coc2C(=O)C2=CCC[C@H](C)[C@]21C

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Roldana aschenborniana

1 reference

Eremophilane derivatives and other constituents from Mexican Senecio species

Jacobaea erucifolia

1 reference

Furanoeremophilanes and other constituents from Senecio Canescens

1 reference

Eremophilane derivatives and other constituents from Mexican Senecio species

Identifiers

InChI=1S/C20H26O4/c1-6-11(2)19(22)24-18-15-12(3)10-23-17(15)16(21)14-9-7-8-13(4)20(14,18)5/h9-11,13,18H,6-8H2,1-5H3/t11-,13+,18-,20-/m1/s1

0 references

PUBUQGJOCRORHJ-SDXWFIKWSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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