(Q104975615)

English

[(1R,2Z,5R,9R,10E,14R,15S)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,11,15-Trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

390.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2Z,5S,9S,10E,14S,15S)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1S,2E,5S,9S,10E,14S,15S)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate

1 reference

based on heuristic

inferred from InChI

7-epi-Denticulatolide

1 reference

based on heuristic

inferred from InChI

[(1R,2Z,5S,9R,10E,14R,15R)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate

1 reference

1 reference

[(1S,2Z,5S,9S,10E,14R,15R)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₆

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canonical SMILES

O=C1OC2C=C(C)CCC(OC(=O)C)C3(OOC(C(=CCC2C1=C)C)CC3)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\C)CC[C@@H](OC(C)=O)[C@]3(C)CC[C@@H](OO3)/C(C)=C\C[C@H]12

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found in taxon

Lobophytum denticulatum

1 reference

stated in

Denticulatolide, an ichthyotoxic peroxide-containing cembranolide from the soft coral lobophytum denticulatum

Identifiers

InChI

InChI=1S/C22H30O6/c1-13-6-9-20(25-16(4)23)22(5)11-10-18(27-28-22)14(2)7-8-17-15(3)21(24)26-19(17)12-13/h7,12,17-20H,3,6,8-11H2,1-2,4-5H3/b13-12+,14-7-/t17-,18-,19-,20-,22+/m1/s1

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InChIKey

DCNHEHMOEMETOF-RQANUNEJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DCNHEHMOEMETOF-RQANUNEJSA-N

(Q104975615)

[(1R,2Z,5R,9R,10E,14R,15S)-2,11,15-trimethyl-6-methylidene-7-oxo-8,16,17-trioxatricyclo[13.2.2.05,9]nonadeca-2,10-dien-14-yl] acetate

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Identifiers

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