(Q104969646)

English

[(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] (2R)-2-methylbutanoate

chemical compound

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type of chemical entity

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subclass of

(2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl (2S)-2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

(1,12-Dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

382.1991533 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] (2S)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₇

0 references

canonical SMILES

O=C1OC2CC(C)C3(O)OC(C)(CC(OC(=O)C(C)CC)C2C1=C)C(O)C3

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@H](C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3

0 references

found in taxon

Aldama atacamensis

1 reference

stated in

Viguilenin, a germacranolide from Viguiera linearis

Aldama linearis

1 reference

stated in

Viguilenin, a germacranolide from Viguiera linearis

Identifiers

InChI

InChI=1S/C20H30O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h10-11,13-16,21,24H,4,6-9H2,1-3,5H3/t10-,11+,13-,14-,15+,16+,19-,20-/m1/s1

0 references

InChIKey

CSYYHGVTSAUQEW-IYZLAPPSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CSYYHGVTSAUQEW-IYZLAPPSSA-N

(Q104969646)

[(1R,2S,4R,8S,9R,11R,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] (2R)-2-methylbutanoate

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