(Q105228748)

English

[10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] 4-acetyloxy-2-(hydroxymethyl)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

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canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(C)C21)CO)C)C(=CCOC(=O)C)CO

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Identifiers

InChI

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

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InChIKey

QVMJTYNTCBEZMJ-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QVMJTYNTCBEZMJ-UHFFFAOYSA-N

(Q105228748)

[10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] 4-acetyloxy-2-(hydroxymethyl)but-2-enoate

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Identifiers

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