(Q105185075)

English

[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(2,10,11-Trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

396.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₈O₈

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canonical SMILES

O=C(OC1CC(O)(C)C23OC3CC(O)(C)C2(O)C4OC(=O)C(C)C14)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(O)[C@H]2OC(=O)[C@@H](C)[C@H]12

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found in taxon

Otanthus maritimus

1 reference

stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C20H28O8/c1-6-9(2)15(21)26-11-7-18(5,24)20-12(28-20)8-17(4,23)19(20,25)14-13(11)10(3)16(22)27-14/h6,10-14,23-25H,7-8H2,1-5H3/b9-6-/t10-,11-,12-,13+,14-,17-,18+,19+,20+/m0/s1

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InChIKey

NSIQFTFECCWKID-LEDHEPLTSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105185075)

[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-2,10,11-trihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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