(Q105380917)

English

Isobutyric acid [(4S)-4,4a,5,6,7,8,8abeta,9-octahydro-3,4abeta,5beta-trimethyl-8-oxonaphtho[2,3-b]furan]-4beta-yl ester

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

318.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Isobutyric acid [(4S)-4,4a,5,6,7,8,8aalpha,9-octahydro-3,4abeta,5beta-trimethyl-8-oxonaphtho[2,3-b]furan]-4beta-yl ester

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₆O₄

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canonical SMILES

O=C(OC1C2=C(OC=C2C)CC3C(=O)CCC(C)C13C)C(C)C

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isomeric SMILES

Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C2

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found in taxon

Auricula

1 reference

stated in

Furanoeremophilanes and a bakkenolide from Senecio auricula var. major

Auricularia

1 reference

stated in

Furanoeremophilanes and a bakkenolide from Senecio auricula var. major

Primula

1 reference

stated in

Furanoeremophilanes and a bakkenolide from Senecio auricula var. major

Identifiers

InChI

InChI=1S/C19H26O4/c1-10(2)18(21)23-17-16-11(3)9-22-15(16)8-13-14(20)7-6-12(4)19(13,17)5/h9-10,12-13,17H,6-8H2,1-5H3/t12-,13-,17+,19+/m0/s1

0 references

InChIKey

ZPHXKYPRCCFEEM-CLKWJJAWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZPHXKYPRCCFEEM-CLKWJJAWSA-N

1 reference

(Q105380917)

Isobutyric acid [(4S)-4,4a,5,6,7,8,8abeta,9-octahydro-3,4abeta,5beta-trimethyl-8-oxonaphtho[2,3-b]furan]-4beta-yl ester

Statements

Identifiers

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