(Q104970879)

English

[3,4,5-Trihydroxy-6-[(3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl)oxy]oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

group of stereoisomers with the chemical formula C₂₉H₃₄O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

1 reference

inferred from

guaiane sesquiterpenoid

mass

542.2151972879998 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₄O₁₀

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canonical SMILES

O=C1OC2C(C1=C)CCC(=C)C3CC(OC4OC(COC(=O)CC5=CC=C(O)C=C5)C(O)C(O)C4O)C(=C)C23

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Identifiers

InChI

InChI=1S/C29H34O10/c1-13-4-9-18-14(2)28(35)39-27(18)23-15(3)20(11-19(13)23)37-29-26(34)25(33)24(32)21(38-29)12-36-22(31)10-16-5-7-17(30)8-6-16/h5-8,18-21,23-27,29-30,32-34H,1-4,9-12H2

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InChIKey

CVMJRSCMWDRGJW-UHFFFAOYSA-N

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PubChem CID

73817546

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

CVMJRSCMWDRGJW-UHFFFAOYSA-N

(Q104970879)

[3,4,5-Trihydroxy-6-[(3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-8-yl)oxy]oxan-2-yl]methyl 2-(4-hydroxyphenyl)acetate

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