(Q105199879)

English

(4R,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-4-hydroxy-2-(methoxymethyl)but-2-enoate

group of stereoisomers with the chemical formula C₂₁H₂₈O₆

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Statements

group of stereoisomers

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germacrane sesquiterpenoid

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germacrane sesquiterpenoid

376.18858861599995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₂₈O₆

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canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)C)C)C(=CCO)COC

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C)C[C@@H](OC(=O)/C(=C/CO)COC)C12

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Identifiers

InChI=1S/C21H28O6/c1-13-6-5-7-14(2)11-18(19-15(3)20(23)26-17(19)10-13)27-21(24)16(8-9-22)12-25-4/h7-8,10,17-19,22H,3,5-6,9,11-12H2,1-2,4H3/b13-10+,14-7-,16-8+/t17-,18+,19?/m0/s1

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OTWFEXKPUVHGDY-QSMZFCKKSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

OTWFEXKPUVHGDY-QSMZFCKKSA-N

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