(Q104909777)

English

[4-Acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylbut-2-enoate

group of stereoisomers with the chemical formula C₂₂H₂₈O₇

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instance of

group of stereoisomers

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subclass of

germacrane sesquiterpenoid

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inferred from

germacrane sesquiterpenoid

mass

404.4544 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

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canonical SMILES

O=C(OCC1=CCCC(=CC2OC(=O)C(=C)C2C(OC(=O)C)C1)CO)C(=CC)C

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Identifiers

InChI

InChI=1S/C22H28O7/c1-5-13(2)21(25)27-12-17-8-6-7-16(11-23)9-19-20(14(3)22(26)29-19)18(10-17)28-15(4)24/h5,8-9,18-20,23H,3,6-7,10-12H2,1-2,4H3

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InChIKey

ADTBMZQXGAKNHO-UHFFFAOYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

ADTBMZQXGAKNHO-UHFFFAOYSA-N

1 reference

(Q104909777)

[4-Acetyloxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-yl]methyl 2-methylbut-2-enoate

Statements

Identifiers

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