(Q105267402)

English

[4,5,12-Triacetyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

group of stereoisomers with the chemical formula C₃₆H₄₈O₁₄

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instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

704.304406216 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₄₈O₁₄

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canonical SMILES

O=C(OC1C(OC(=O)C(C)C)C2C(OC(=O)C)C3(OC2(C)C)C(O)(C)CC(OC(=O)C)C(OC(=O)C)C13COC(=O)C(C)C)C=4C=CC=CC4

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found in taxon

Celastrus angulatus

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stated in

Insecticidal sesquiterpene polyol esters from Celastrus angulatus.

Identifiers

InChI

InChI=1S/C36H48O14/c1-18(2)30(40)44-17-35-27(46-21(6)38)24(45-20(5)37)16-34(10,43)36(35)28(47-22(7)39)25(33(8,9)50-36)26(48-31(41)19(3)4)29(35)49-32(42)23-14-12-11-13-15-23/h11-15,18-19,24-29,43H,16-17H2,1-10H3

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InChIKey

TYLUOCMJAUPHRG-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105267402)

[4,5,12-Triacetyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate

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Identifiers

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