(Q105178600)

English

4,6,7,10-Tetraacetoxy-5a-(acetoxymethyl)-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin

group of stereoisomers with the chemical formula C₃₂H₄₀O₁₃

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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

632.24689134 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₃

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canonical SMILES

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

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found in taxon

Euonymus japonicus

3 references

stated in

New sesquiterpene esters and alkaloids from Euonymus japonicus: the ‘Ejap’ series. X-Ray molecular structures of Ejap-2, -3, -4, -5, -6, and -10

stated in

New sesquiterpene esters from Euonymus verrucosus: the ‘Ever’ series. X-Ray molecular structure of Ever-1

stated in

Structure of alatol, a hydrolysis product of a sesquiterpene polyester, alatolin from Euonymus alatus forma striatus (Thunb.) Makino, and transformation of evoninol to alatol

Identifiers

InChI

InChI=1S/C32H40O13/c1-16-14-23(40-18(3)34)26(42-20(5)36)31(15-39-17(2)33)28(44-29(38)22-12-10-9-11-13-22)25(41-19(4)35)24-27(43-21(6)37)32(16,31)45-30(24,7)8/h9-13,16,23-28H,14-15H2,1-8H3

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InChIKey

NFOQLYSQUBGBCQ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFOQLYSQUBGBCQ-UHFFFAOYSA-N

1 reference

(Q105178600)

4,6,7,10-Tetraacetoxy-5a-(acetoxymethyl)-5-(benzoyloxy)-3,4,5,5a,6,7,8,9-octahydro-2,2,9-trimethyl-2H-3,9a-methano-1-benzooxepin

Statements

Identifiers

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