(Q105256093)

English

[4,5,12-Triacetyloxy-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate

group of stereoisomers with the chemical formula C₃₇H₄₄O₁₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

728.268020708 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₄O₁₅

0 references

canonical SMILES

O=C(OC1C(OC(=O)C=2C=CC=CC2)C3(COC(=O)C(C)C)C(OC(=O)C)C(OC(=O)C)CC(O)(C)C43OC(C)(C)C1C4OC(=O)C)C5=COC=C5

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found in taxon

Celastrus angulatus

1 reference

stated in

Insecticidal sesquiterpene polyol esters from Celastrus angulatus.

Identifiers

InChI

InChI=1S/C37H44O15/c1-19(2)31(41)46-18-36-28(48-21(4)39)25(47-20(3)38)16-35(8,44)37(36)29(49-22(5)40)26(34(6,7)52-37)27(50-33(43)24-14-15-45-17-24)30(36)51-32(42)23-12-10-9-11-13-23/h9-15,17,19,25-30,44H,16,18H2,1-8H3

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InChIKey

SMPQVRAZXSOPQP-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SMPQVRAZXSOPQP-UHFFFAOYSA-N

(Q105256093)

[4,5,12-Triacetyloxy-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-6-(2-methylpropanoyloxymethyl)-11-oxatricyclo[7.2.1.01,6]dodecan-8-yl] furan-3-carboxylate

Statements

Identifiers

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