(Q105183590)

English

[(2R,4R,6R,10S,12S)-15-formyl-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-trien-10-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

cembrane

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mass

400.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄O₇

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canonical SMILES

O=CC=1C=C2OC1CC(C(=C)C)CC(OC(=O)C)C3=CC(OC3=O)CC4(OC24)C

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isomeric SMILES

C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@]2(C)C[C@@H]2C=C(C(=O)O2)[C@@H](OC(C)=O)C1

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found in taxon

Leptogorgia violacea

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stated in

Chemical defenses of the endemic Brazilian gorgonian Lophogorgia violacea Pallas (Octocorallia, Gorgonacea)

Identifiers

InChI

InChI=1S/C22H24O7/c1-11(2)13-5-17-14(10-23)7-19(28-17)20-22(4,29-20)9-15-8-16(21(25)27-15)18(6-13)26-12(3)24/h7-8,10,13,15,18,20H,1,5-6,9H2,2-4H3/t13-,15+,18+,20+,22-/m1/s1

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InChIKey

NPZNRRDKNMSIDD-KDCJINKYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NPZNRRDKNMSIDD-KDCJINKYSA-N

1 reference

(Q105183590)

[(2R,4R,6R,10S,12S)-15-formyl-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-trien-10-yl] acetate

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Identifiers

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