(Q105028340)

English

[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(9,10,14-Trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl) 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

384.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₈O₈

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canonical SMILES

O=C(OC1CC(O)(C)C2(O)C3OC3C(O)(C)C2C4OC(=O)C(C)C14)C(C)C

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isomeric SMILES

CC(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)[C@H]1O[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/C19H28O8/c1-7(2)15(20)25-9-6-17(4,22)19(24)12(18(5,23)13-14(19)27-13)11-10(9)8(3)16(21)26-11/h7-14,22-24H,6H2,1-5H3/t8-,9-,10+,11-,12-,13-,14+,17+,18-,19+/m0/s1

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InChIKey

HHKPUDQKGQCHRO-ZTXZPJQQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105028340)

[(1S,2S,5S,6R,7S,9R,10R,11R,13S,14S)-9,10,14-trihydroxy-5,9,14-trimethyl-4-oxo-3,12-dioxatetracyclo[8.4.0.02,6.011,13]tetradecan-7-yl] 2-methylpropanoate

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Identifiers

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