(Q105255962)

English

(3aR,4S,6E,10Z,11aR)-4-hydroxy-3-methylidene-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

group of stereoisomers with the chemical formula C₂₁H₂₈O₁₀

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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

440.1682470959999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₈O₁₀

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canonical SMILES

O=CC1=CCCC(=CC2OC(=O)C(=C)C2C(O)C1)COC3OC(CO)C(O)C(O)C3O

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isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(\COC3OC(CO)C(O)C(O)C3O)CC/C=C(/C=O)C[C@H](O)[C@@H]12

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Identifiers

InChI

InChI=1S/C21H28O10/c1-10-16-13(24)5-11(7-22)3-2-4-12(6-14(16)30-20(10)28)9-29-21-19(27)18(26)17(25)15(8-23)31-21/h3,6-7,13-19,21,23-27H,1-2,4-5,8-9H2/b11-3+,12-6-/t13-,14+,15?,16+,17?,18?,19?,21?/m0/s1

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InChIKey

SMIZUXPJPXRGOS-GBTQREAISA-N

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PubChem CID

162844198

1 reference

based on heuristic

inferred from InChIKey

(Q105255962)

(3aR,4S,6E,10Z,11aR)-4-hydroxy-3-methylidene-2-oxo-10-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carbaldehyde

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