(Q105113164)

English

[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

group of stereoisomers with the chemical formula C₃₈H₄₆O₁₂

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Statements

instance of

group of stereoisomers

0 references

subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

694.298926912 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₆O₁₂

0 references

canonical SMILES

O=C(OC1CCC(O)(C)C23OC(C)(C)C(C(OC(=O)C(C)CC)C(OC(=O)C=4C=CC=CC4)C12COC(=O)C)C3OC(=O)C)C=5C=CC=CC5

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found in taxon

Maytenus canariensis

1 reference

stated in

β-agarofuran sesquiterpenes from Maytenus canariensis

Identifiers

InChI

InChI=1S/C38H46O12/c1-8-22(2)32(41)48-29-28-30(46-24(4)40)38(50-35(28,5)6)36(7,44)20-19-27(47-33(42)25-15-11-9-12-16-25)37(38,21-45-23(3)39)31(29)49-34(43)26-17-13-10-14-18-26/h9-18,22,27-31,44H,8,19-21H2,1-7H3

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InChIKey

IHOYCLXZHJXUBY-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IHOYCLXZHJXUBY-UHFFFAOYSA-N

(Q105113164)

[12-Acetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-8-(2-methylbutanoyloxy)-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate

Statements

Identifiers

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