(Q105009252)

English

[(1S,13S,21R)-16,17-dimethoxy-12-oxo-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-21-yl] acetate

chemical compound

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Statements

type of chemical entity

0 references

(16,17-Dimethoxy-12-oxo-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-21-yl) acetate

1 reference

based on heuristic

inferred from SMILES

410.100167536 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₁₈O₈

0 references

canonical SMILES

O=C(OC1OC2=CC(OC)=C(OC)C=C2C3C(=O)C4=CC=C5OC=CC5=C4OC13)C

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isomeric SMILES

COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4occc4c3O[C@@H]1[C@@H](OC(C)=O)O2

0 references

Derris cuneifolia

1 reference

6-Oxo-6a,12a-dehydro-a-toxicarol, a 6-Oxodehydrorotenone from the Roots of Derris oblonga Benth

Derris canarensis

1 reference

6-Oxo-6a,12a-dehydro-a-toxicarol, a 6-Oxodehydrorotenone from the Roots of Derris oblonga Benth

Identifiers

InChI=1S/C22H18O8/c1-10(23)28-22-21-18(13-8-16(25-2)17(26-3)9-15(13)29-22)19(24)12-4-5-14-11(6-7-27-14)20(12)30-21/h4-9,18,21-22H,1-3H3/t18-,21+,22+/m1/s1

0 references

GIWGNNUIWNNCLX-COPCDDAFSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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