(Q104934095)

English

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

group of stereoisomers with the chemical formula C₄₂H₄₄O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

eudesmane sesquiterpenoid

1 reference

inferred from

eudesmane sesquiterpenoid

mass

756.278191468 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₄₄O₁₃

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canonical SMILES

O=C(OCC12C(OC(=O)C)C(OC(=O)C)CC(C)C32OC(C)(C)C(C(OC(=O)C=4C=CC=CC4)C1OC(=O)C=5C=CC=CC5)C3OC(=O)C)C=6C=CC=CC6

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Identifiers

InChI

InChI=1S/C42H44O13/c1-24-22-31(50-25(2)43)34(51-26(3)44)41(23-49-37(46)28-16-10-7-11-17-28)36(54-39(48)30-20-14-9-15-21-30)33(53-38(47)29-18-12-8-13-19-29)32-35(52-27(4)45)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3

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InChIKey

BFFBXPBHYOLSOD-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BFFBXPBHYOLSOD-UHFFFAOYSA-N

(Q104934095)

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

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Identifiers

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