(Q105174539)

English

[6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] 2-(acetyloxymethyl)but-2-enoate

group of stereoisomers with the chemical formula C₂₂H₃₀O₈

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Statements

instance of

group of stereoisomers

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subclass of

germacrane sesquiterpenoid

1 reference

inferred from

germacrane sesquiterpenoid

mass

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₈

0 references

canonical SMILES

O=C(OC1CC(O)(C)CCC=C(CO)CC2OC(=O)C(=C)C21)C(=CC)COC(=O)C

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found in taxon

Liatris gracilis

1 reference

stated in

Stereochemistry of chapliatrin and its congeners from Liatris gracilis

Identifiers

InChI

InChI=1S/C22H30O8/c1-5-16(12-28-14(3)24)21(26)30-18-10-22(4,27)8-6-7-15(11-23)9-17-19(18)13(2)20(25)29-17/h5,7,17-19,23,27H,2,6,8-12H2,1,3-4H3

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InChIKey

MXSFJGBBCLJHSF-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MXSFJGBBCLJHSF-UHFFFAOYSA-N

(Q105174539)

[6-hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] 2-(acetyloxymethyl)but-2-enoate

Statements

Identifiers

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